diff options
Diffstat (limited to 'cv/data/csv/MDD_constitutional.csv')
| -rw-r--r-- | cv/data/csv/MDD_constitutional.csv | 1196 |
1 files changed, 1196 insertions, 0 deletions
diff --git a/cv/data/csv/MDD_constitutional.csv b/cv/data/csv/MDD_constitutional.csv new file mode 100644 index 0000000..8240a8d --- /dev/null +++ b/cv/data/csv/MDD_constitutional.csv @@ -0,0 +1,1196 @@ +SMILES,nAtom,nAtomLC,nAtomP,ALogP,nRotB,ALogp2,XLogP,MLogP,nB,AMR +InChI%3D1S%2FC22H25N3O4S%2Fc1-2-29-22%2827%2923-16-7-8-20-18%2815-16%2925%2817-5-3-4-6-19%2817%2930-20%2921%2826%299-10-24-11-13-28-14-12-24%2Fh3-8%2C15H%2C2%2C9-14H2%2C1H3%2C%28H%2C23%2C27%29,55.0,6.0,19.0,0.729600012302399,7.0,0.532316148281097,3.6489999294281,3.0,33.0,67.6804962158203 +InChI%3D1S%2FC17H22NOS2.BrH%2Fc1-18%282%2911-13%2810-14%2812-18%2919-3%2917%2815-6-4-8-20-15%2916-7-5-9-21-16%3B%2Fh4-9%2C14H%2C10-12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,44.0,2.0,12.0,,3.0,,3.69099998474121,2.77999997138977,23.0, +InChI%3D1S%2FC7H8O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6H2,16.0,2.0,6.0,-0.44870001077652,1.0,0.201331689953804,2.40899991989136,2.11999988555908,8.0,7.27680015563965 +InChI%3D1S%2FC11H17NO%2Fc1-9%2812-2%298-10-6-4-5-7-11%2810%2913-3%2Fh4-7%2C9%2C12H%2C8H2%2C1-3H3,30.0,5.0,7.0,-0.306600004434586,4.0,0.0940035581588745,2.68400001525879,2.45000004768372,13.0,30.4745006561279 +InChI%3D1S%2FC11H9I3N2O4.Na%2Fc1-3%2817%2915-9-6%2812%295%2811%2819%2920%297%2813%2910%288%289%2914%2916-4%282%2918%3B%2Fh1-2H3%2C%28H%2C15%2C17%29%28H%2C16%2C18%29%28H%2C19%2C20%29%3B%2Fq%3B%2B1%2Fp-1,29.0,4.0,15.0,,3.0,,3.6010000705719,1.57000005245209,20.0, +InChI%3D1S%2FC5H11NO2%2Fc1-3-5%282%294-8-6-7%2Fh5H%2C3-4H2%2C1-2H3,19.0,8.0,3.0,-2.14109992980957,4.0,4.58430910110474,2.49900007247925,1.67999994754791,7.0,28.8693008422852 +InChI%3D1S%2FC21H28N2O5%2Fc1-23%282%2910-11-28-17-8-6-15%287-9-17%2914-22-21%2824%2916-12-18%2825-3%2920%2827-5%2919%2813-16%2926-4%2Fh6-9%2C12-13H%2C10-11%2C14H2%2C1-5H3%2C%28H%2C22%2C24%29,56.0,6.0,12.0,-0.36269998550415,10.0,0.131551295518875,2.59299993515015,3.0,29.0,60.2840995788574 +InChI%3D1S%2FC32H60O10%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30%2836%2940-25-24-37-27-29%2839-22-19-34%2932-28%2838-21-18-33%2926-31%2842-32%2941-23-20-35%2Fh9-10%2C28-29%2C31-35H%2C2-8%2C11-27H2%2C1H3,102.0,29.0,3.0,-4.5479998588562,31.0,20.6843032836914,5.86899995803833,3.88000011444092,42.0,142.471298217773 +InChI%3D1S%2FC14H14N2O%2Fc1-14%282%2C12-6-4-8-16-10-12%2913%2817%2911-5-3-7-15-9-11%2Fh3-10H%2C1-2H3,31.0,5.0,8.0,0.65039998292923,3.0,0.423020154237747,2.10500001907349,2.67000007629395,18.0,18.9706993103027 +InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-15-14-6-4-13%2820%2911-12%2814%293-5-16%2815%2917%2818%298-10-19%2818%2C2%2921%2Fh11%2C14-17%2C21H%2C3-10H2%2C1-2H3%2Ft14-%2C15%2B%2C16%3F%2C17-%2C18-%2C19-%2Fm0%2Fs1,49.0,0.0,4.0,0.625,0.0,0.390625,3.64000010490417,3.32999992370605,24.0,82.3824996948242 +InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,29.0,2.0,17.0,-1.92499995231628,2.0,3.70562505722046,1.23300004005432,2.23000001907349,18.0,17.0858001708984 +InChI%3D1S%2FC47H73NO17%2Fc1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34%2864-46-44%2858%2941%2848%2943%2857%2930%284%2963-46%2924-38-40%2845%2859%2960%2937%2854%2926-47%2861%2C65-38%2925-33%2851%2922-36%2853%2935%2852%2920-19-31%2849%2921-32%2850%2923-39%2855%2962-29%283%2928%282%2942%2827%2956%2Fh5-18%2C27-38%2C40-44%2C46%2C49-54%2C56-58%2C61H%2C19-26%2C48H2%2C1-4H3%2C%28H%2C59%2C60%29%2Fb6-5-%2C9-7-%2C10-8-%2C13-11-%2C14-12-%2C17-15-%2C18-16%2B%2Ft27-%2C28-%2C29-%2C30%2B%2C31%2B%2C32%2B%2C33-%2C34-%2C35%2B%2C36%2B%2C37-%2C38-%2C40%2B%2C41-%2C42%2B%2C43%2B%2C44%3F%2C46-%2C47%2B%2Fm0%2Fs1,138.0,2.0,14.0,-5.18139982223511,3.0,26.8469066619873,2.06800007820129,4.65000009536743,67.0,230.935302734375 +InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3-6%2C11-13%2C17%2C20H%2C7-9H2%2C1-2H3%2Ft11%3F%2C12%3F%2C13-%2C17%3F%2C18%2B%2Fm0%2Fs1,43.0,2.0,8.0,-0.308600008487701,1.0,0.0952339619398117,1.31500005722046,3.0,26.0,60.8292999267578 +InChI%3D1S%2FC29H39FO7%2Fc1-6-8-25%2835%2937-29%2823%2833%2916-36-24%2834%297-2%2917%283%2913-21-20-10-9-18-14-19%2831%2911-12-26%2818%2C4%2928%2820%2C30%2922%2832%2915-27%2821%2C29%295%2Fh11-12%2C14%2C17%2C20-22%2C32H%2C6-10%2C13%2C15-16H2%2C1-5H3%2Ft17-%2C20-%2C21%3F%2C22-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1,76.0,8.0,6.0,-0.321399986743927,9.0,0.103297956287861,3.26399993896484,3.76999998092651,40.0,132.556900024414 +InChI%3D1S%2FC12H13N3O2%2Fc1-9-7-11%2815-17-9%2912%2816%2914-13-8-10-5-3-2-4-6-10%2Fh2-7%2C13H%2C8H2%2C1H3%2C%28H%2C14%2C16%29,30.0,5.0,6.0,-0.758199989795685,5.0,0.574867248535156,3.76900005340576,2.23000001907349,18.0,22.8052997589111 +InChI%3D1S%2FC13H24N4O3S%2Fc1-13%282%2C3%2914-8-10%2818%299-20-12-11%2815-21-16-12%2917-4-6-19-7-5-17%2Fh10%2C14%2C18H%2C4-9H2%2C1-3H3%2Ft10-%2Fm0%2Fs1,45.0,10.0,7.0,0.467700004577637,7.0,0.218743294477463,0.254000008106232,2.00999999046326,22.0,70.9658966064453 +InChI%3D1S%2FC17H19ClN2S%2Fc1-19%282%2910-5-11-20-14-6-3-4-7-16%2814%2921-17-9-8-13%2818%2912-15%2817%2920%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3,40.0,6.0,13.0,1.30110001564026,4.0,1.69286119937897,4.45699977874756,2.89000010490417,23.0,42.9345016479492 +InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6%2B%2C7-%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2Fm1%2Fs1,45.0,2.0,0.0,-4.26030015945435,4.0,18.1501560211182,-3.66300010681152,1.57000005245209,24.0,68.3367004394531 +InChI%3D1S%2FC34H57N2O4.BrH%2Fc1-23%2837%2939-31-20-25-12-13-26-27%2834%2825%2C4%2922-29%2831%2935-16-8-6-9-17-35%2914-15-33%283%2928%2826%2921-30%2832%2833%2940-24%282%2938%2936%285%2918-10-7-11-19-36%3B%2Fh25-32H%2C6-22H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft25-%2C26%2B%2C27-%2C28-%2C29%3F%2C30%3F%2C31-%2C32%3F%2C33-%2C34%3F%3B%2Fm0.%2Fs1,98.0,4.0,3.0,,6.0,,7.6269998550415,4.42999982833862,45.0, +InChI%3D1S%2FC11H16N4O4%2Fc16-3-8-6%2817%291-9%2819-8%2915-5-14-10-7%2818%292-12-4-13-11%2810%2915%2Fh4-9%2C16-18H%2C1-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7%2B%2C8%2B%2C9%2B%2Fm0%2Fs1,35.0,2.0,3.0,-2.57529997825623,2.0,6.6321702003479,-1.48099994659424,1.78999996185303,21.0,47.782299041748 +InChI%3D1S%2FC21H22N2O2%2Fc24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%2Fh1-5%2C13%2C16-17%2C19-20H%2C6-11H2%2Ft13%3F%2C16-%2C17-%2C19-%2C20-%2C21%2B%2Fm0%2Fs1,47.0,0.0,9.0,-0.784099996089935,0.0,0.614812791347504,1.73099994659424,3.32999992370605,31.0,67.8364028930664 +InChI%3D1S%2FC19H15NO6%2Fc1-11%2821%2910-15%2812-6-8-13%289-7-12%2920%2824%2925%2917-18%2822%2914-4-2-3-5-16%2814%2926-19%2817%2923%2Fh2-9%2C15%2C22H%2C10H2%2C1H3,43.0,5.0,9.0,-1.04649996757507,5.0,1.09516227245331,3.70099997520447,2.77999997138977,28.0,37.6540985107422 +InChI%3D1S%2FC7H8ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-2%2C10-11H%2C3H2%2C%28H2%2C9%2C12%2C13%29,25.0,3.0,15.0,-1.54359996318817,1.0,2.38270092010498,-1.26300001144409,1.12999999523163,18.0,35.4327011108398 +InChI%3D1S%2FC28H44O3%2Fc1-3-4-5-6-7-8-9-10-27%2830%2931-26-16-15-25-24-13-11-20-19-21%2829%2912-14-22%2820%2923%2824%2917-18-28%2825%2C26%292%2Fh19%2C22-26H%2C3-18H2%2C1-2H3%2Ft22-%2C23%2B%2C24%3F%2C25-%2C26-%2C28-%2Fm0%2Fs1,75.0,12.0,4.0,-1.6842999458313,10.0,2.83686637878418,8.19900035858154,4.21000003814697,34.0,110.760902404785 +InChI%3D1S%2FC10H13FN5O7P%2Fc11-10-14-7%2812%294-8%2815-10%2916%282-13-4%299-6%2818%295%2817%293%2823-9%291-22-24%2819%2C20%2921%2Fh2-3%2C5-6%2C9%2C17-18H%2C1H2%2C%28H2%2C12%2C14%2C15%29%28H2%2C19%2C20%2C21%29%2Ft3%3F%2C5-%2C6%2B%2C9-%2Fm1%2Fs1,37.0,6.0,9.0,-2.11199998855591,4.0,4.46054410934448,-3.08800005912781,1.01999998092651,26.0,45.9729995727539 +InChI%3D1S%2FC22H28N2O2%2Fc1-24-16-6-5-8-19%2824%2913-10-17-7-3-4-9-21%2817%2923-22%2825%2918-11-14-20%2826-2%2915-12-18%2Fh3-4%2C7%2C9%2C11-12%2C14-15%2C19H%2C5-6%2C8%2C10%2C13%2C16H2%2C1-2H3%2C%28H%2C23%2C25%29,54.0,3.0,16.0,-1.69949996471405,7.0,2.88830018043518,5.08099985122681,3.44000005722046,28.0,47.9738998413086 +InChI%3D1S%2FC24H40O4%2Fc1-14%284-7-21%2827%2928%2917-5-6-18-22-19%289-11-24%2817%2C18%293%2923%282%2910-8-16%2825%2912-15%2823%2913-20%2822%2926%2Fh14-20%2C22%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft14-%2C15%2B%2C16-%2C17-%2C18%2B%2C19%2B%2C20%2B%2C22%3F%2C23%2B%2C24%3F%2Fm1%2Fs1,68.0,7.0,3.0,0.106700003147125,4.0,0.0113848904147744,6.17799997329712,3.66000008583069,31.0,104.151496887207 +InChI%3D1S%2FC14H17N3O9%2Fc1-6%2818%2923-5-9-11%2824-7%282%2919%2912%2825-8%283%2920%2913%2826-9%2917-14%2822%2916-10%2821%294-15-17%2Fh4%2C9%2C11-13H%2C5H2%2C1-3H3%2C%28H%2C16%2C21%2C22%29%2Ft9%3F%2C11-%2C12-%2C13-%2Fm1%2Fs1,47.0,5.0,5.0,-1.769700050354,8.0,3.13183808326721,-0.46000000834465,1.67999994754791,27.0,78.5476989746094 +InChI%3D1S%2FC14H11NO5%2Fc1-8-2-4-9%285-3-8%2913%2817%2910-6-11%2815%2819%2920%2914%2818%2912%2816%297-10%2Fh2-7%2C16%2C18H%2C1H3,31.0,2.0,19.0,-0.58899998664856,3.0,0.346920996904373,4.61499977111816,2.33999991416931,21.0,18.8631000518799 +InChI%3D1S%2FC21H23BrFNO2%2Fc22-18-7-5-17%286-8-18%2921%2826%2911-14-24%2815-12-21%2913-1-2-20%2825%2916-3-9-19%2823%2910-4-16%2Fh3-10%2C26H%2C1-2%2C11-15H2,49.0,5.0,8.0,-0.421700000762939,6.0,0.177830889821053,4.83500003814697,3.22000002861023,28.0,50.0037994384766 +InChI%3D1S%2FC11H12N2O2%2Fc1-2-13-10%2814%299%2812-11%2813%2915%298-6-4-3-5-7-8%2Fh3-7%2C9H%2C2H2%2C1H3%2C%28H%2C12%2C15%29,27.0,2.0,6.0,-0.00240000011399388,2.0,5.76000002183719e-06,2.43799996376038,2.23000001907349,16.0,29.2322998046875 +InChI%3D1S%2FC24H34N2O%2Fc1-21%282%2919-27-20-24%2825-15-9-10-16-25%2918-26%2823-13-7-4-8-14-23%2917-22-11-5-3-6-12-22%2Fh3-8%2C11-14%2C21%2C24H%2C9-10%2C15-20H2%2C1-2H3,61.0,10.0,7.0,-0.111599996685982,10.0,0.0124545600265265,6.7979998588562,3.76999998092651,29.0,59.1772003173828 +InChI%3D1S%2FC8H9NO5%2Fc10-2-1-4-7%288%2812%2913%299-5%2811%293-6%289%2914-4%2Fh1%2C6-7%2C10H%2C2-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7-%2Fm1%2Fs1,23.0,3.0,3.0,-1.44649994373322,2.0,2.09236216545105,-1.51900005340576,1.67999994754791,15.0,44.252498626709 +InChI%3D1S%2FC16H14N2O%2Fc1-11-7-3-6-10-15%2811%2918-12%282%2917-14-9-5-4-8-13%2814%2916%2818%2919%2Fh3-10H%2C1-2H3,35.0,0.0,16.0,0.0601000003516674,1.0,0.00361201004125178,4.57800006866455,2.89000010490417,21.0,24.6993999481201 +InChI%3D1S%2FC10H14N5O7P%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2822-10%291-21-23%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%2B%2C10-%2Fm1%2Fs1,37.0,6.0,9.0,-2.21490001678467,4.0,4.9057822227478,-3.46700000762939,1.12999999523163,25.0,44.8157005310059 +InChI%3D1S%2FC17H17Cl2N%2Fc1-20-17-9-7-12%2813-4-2-3-5-14%2813%2917%2911-6-8-15%2818%2916%2819%2910-11%2Fh2-6%2C8%2C10%2C12%2C17%2C20H%2C7%2C9H2%2C1H3%2Ft12-%2C17-%2Fm0%2Fs1,37.0,2.0,6.0,0.956799983978271,2.0,0.915466248989105,5.87400007247925,3.0,22.0,34.7689018249512 +InChI%3D1S%2FC19H22F2N4O3%2Fc1-8-5-24%286-9%282%2923-8%2917-13%2820%2915%2822%2912-16%2814%2817%2921%2925%2810-3-4-10%297-11%2818%2812%2926%2919%2827%2928%2Fh7-10%2C23H%2C3-6%2C22H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft8-%2C9%2B,52.0,2.0,11.0,-1.42260003089905,3.0,2.02379083633423,0.462000012397766,2.55999994277954,31.0,73.2008972167969 +InChI%3D1S%2FC8H11NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2%2C10-12H%2C3-4H2%2C1H3,23.0,2.0,7.0,-0.918200016021729,2.0,0.843091249465942,-0.676999986171722,1.89999997615814,12.0,22.850700378418 +InChI%3D1S%2FC9H10N4O2S2%2Fc1-6-11-12-9%2816-6%2913-17%2814%2C15%298-4-2-7%2810%293-5-8%2Fh2-5H%2C10H2%2C1H3%2C%28H%2C12%2C13%29,27.0,4.0,16.0,-1.04449999332428,3.0,1.09098029136658,1.02999997138977,1.57000005245209,18.0,29.0559005737305 +InChI%3D1S%2FC21H32O2%2Fc1-13-11-14-12-15%2822%295-8-19%2814%2C2%2916-6-9-20%283%2917%2818%2813%2916%297-10-21%2820%2C4%2923%2Fh12-13%2C16-18%2C23H%2C5-11H2%2C1-4H3%2Ft13-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1,55.0,0.0,4.0,1.41849994659424,0.0,2.01214218139648,4.55999994277954,3.54999995231628,26.0,92.8587036132812 +InChI%3D1S%2FC13H18N4O3%2Fc1-9%2818%296-4-5-7-17-12%2819%2910-11%2814-8-15%2810%292%2916%283%2913%2817%2920%2Fh8H%2C4-7H2%2C1-3H3,38.0,7.0,6.0,-1.31690001487732,5.0,1.73422563076019,-0.104000002145767,2.11999988555908,21.0,55.0304985046387 +InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3,46.0,9.0,7.0,-0.901400029659271,10.0,0.812521934509277,2.2960000038147,2.67000007629395,21.0,56.9043006896973 +InChI%3D1S%2FC10H16N2O8%2Fc13-7%2814%293-11%284-8%2815%2916%291-2-12%285-9%2817%2918%296-10%2819%2920%2Fh1-6H2%2C%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29,36.0,20.0,3.0,-1.71679997444153,11.0,2.94740223884583,-2.55599999427795,1.46000003814697,19.0,62.3456001281738 +InChI%3D1S%2FC30H60N3O3.3HI%2Fc1-10-31%2811-2%2C12-3%2922-25-34-28-20-19-21-29%2835-26-23-32%2813-4%2C14-5%2915-6%2930%2828%2936-27-24-33%2816-7%2C17-8%2918-9%3B%3B%3B%2Fh19-21H%2C10-18%2C22-27H2%2C1-9H3%3B3%2A1H%2Fq%2B3%3B%3B%3B%2Fp-3,99.0,10.0,9.0,,21.0,,7.40700006484985,3.76999998092651,36.0, +InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,14.0,6.0,3.0,0.271499991416931,2.0,0.0737122520804405,0.663999974727631,1.67999994754791,5.0,21.706600189209 +InChI%3D1S%2FC12H6Cl2N2O6%2Fc13-5-1-7%2811%2817%299%283-5%2915%2819%2920%298-2-6%2814%294-10%2812%288%2918%2916%2821%2922%2Fh1-4%2C17-18H,28.0,2.0,20.0,0.474799990653992,3.0,0.22543503344059,4.51599979400635,1.67999994754791,23.0,22.1319999694824 +InChI%3D1S%2FC19H28ClN5O%2Fc1-3-18-21-25%2819%2826%2924%2818%294-2%2910-6-9-22-11-13-23%2814-12-22%2917-8-5-7-16%2820%2915-17%2Fh5%2C7-8%2C15H%2C3-4%2C6%2C9-14H2%2C1-2H3,56.0,3.0,7.0,-0.247600004076958,7.0,0.0613057613372803,3.47000002861023,2.77999997138977,28.0,77.8172988891602 +InChI%3D1S%2FC18H19N%2Fc1-19-12-18-11-10-13%2814-6-2-4-8-16%2814%2918%2915-7-3-5-9-17%2815%2918%2Fh2-9%2C13%2C19H%2C10-12H2%2C1H3,38.0,3.0,6.0,-0.489199995994568,2.0,0.239316642284393,7.01599979400635,3.32999992370605,22.0,29.4263000488281 +InChI%3D1S%2FC36H47N5O4.H2O%2Fc1-36%282%2C3%2939-35%2845%2931-24-40%2822-26-12-9-15-37-21-26%2916-17-41%2831%2923-29%2842%2919-28%2818-25-10-5-4-6-11-25%2934%2844%2938-33-30-14-8-7-13-27%2830%2920-32%2833%2943%3B%2Fh4-15%2C21%2C28-29%2C31-33%2C42-43H%2C16-20%2C22-24H2%2C1-3H3%2C%28H%2C38%2C44%29%28H%2C39%2C45%29%3B1H2%2Ft28-%2C29%2B%2C31%2B%2C32%3F%2C33%2B%3B%2Fm1.%2Fs1,95.0,9.0,6.0,0.108300000429153,12.0,0.0117288902401924,,4.32000017166138,49.0,102.055999755859 +InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29,32.0,2.0,11.0,-0.573499977588654,2.0,0.328902244567871,0.569999992847443,2.23000001907349,21.0,41.2597007751465 +InChI%3D1S%2FC31H33N3O6S%2Fc1-20-8-4-7-11-29%2820%2941%2837%2C38%2933-30%2835%2922-13-12-21%2828%2817-22%2939-3%2916-23-19-34%282%2927-15-14-24%2818-26%2823%2927%2932-31%2836%2940-25-9-5-6-10-25%2Fh4%2C7-8%2C11-15%2C17-19%2C25H%2C5-6%2C9-10%2C16H2%2C1-3H3%2C%28H%2C32%2C36%29%28H%2C33%2C35%29,74.0,6.0,19.0,-0.724300026893616,9.0,0.52461051940918,6.99900007247925,3.76999998092651,45.0,67.803596496582 +InChI%3D1S%2FC20H21FN2O%2Fc1-23%282%2911-3-10-20%2817-5-7-18%2821%298-6-17%2919-9-4-15%2813-22%2912-16%2819%2914-24-20%2Fh4-9%2C12H%2C3%2C10-11%2C14H2%2C1-2H3,45.0,6.0,8.0,0.284000009298325,5.0,0.080655999481678,3.95600008964539,3.22000002861023,26.0,42.0723991394043 +InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29,32.0,3.0,14.0,-0.994899988174438,5.0,0.989826023578644,0.88400000333786,1.78999996185303,22.0,33.6077995300293 +InChI%3D1S%2FC20H23N5O6S%2Fc1-20%282%2913%2817%2828%2929%2925-15%2827%2912%2816%2825%2932-20%2922-14%2826%2911%2810-6-4-3-5-7-10%2923-19%2831%2924-9-8-21-18%2824%2930%2Fh3-7%2C11-13%2C16H%2C8-9H2%2C1-2H3%2C%28H%2C21%2C30%29%28H%2C22%2C26%29%28H%2C23%2C31%29%28H%2C28%2C29%29%2Ft11-%2C12%2B%2C13-%2C16%2B%2Fm0%2Fs1,55.0,7.0,7.0,0.0507000014185905,6.0,0.00257048988714814,2.80900001525879,2.33999991416931,35.0,86.5372009277344 +InChI%3D1S%2FC21H25ClO5%2Fc1-19-5-3-11%2824%297-14%2819%2915%2822%298-12-13-4-6-21%2827%2C17%2826%2910-23%2920%2813%2C2%299-16%2825%2918%2812%2919%2Fh3%2C5%2C7-8%2C12-13%2C16%2C18%2C23%2C25%2C27H%2C4%2C6%2C9-10H2%2C1-2H3%2Ft12%3F%2C13-%2C16-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1,52.0,4.0,8.0,-0.0674000009894371,2.0,0.00454276008531451,1.05799996852875,3.10999989509583,30.0,103.683296203613 +InChI%3D1S%2FC16H23NO2%2Fc1-4-15%2818%2919-16%2814-8-6-5-7-9-14%2910-11-17%283%2912-13%2816%292%2Fh5-9%2C13H%2C4%2C10-12H2%2C1-3H3%2Ft13-%2C16%2B%2Fm0%2Fs1,42.0,5.0,6.0,-0.30579999089241,4.0,0.0935136377811432,4.08900022506714,2.89000010490417,20.0,48.5085983276367 +InChI%3D1S%2FC10H14O4%2Fc1-13-9-4-2-3-5-10%289%2914-7-8%2812%296-11%2Fh2-5%2C8%2C11-12H%2C6-7H2%2C1H3,28.0,6.0,8.0,-1.15369999408722,5.0,1.33102369308472,0.52700001001358,2.11999988555908,14.0,26.8864002227783 +InChI%3D1S%2FC19H16O4%2Fc1-12%2820%2911-15%2813-7-3-2-4-8-13%2917-18%2821%2914-9-5-6-10-16%2814%2923-19%2817%2922%2Fh2-10%2C15%2C21H%2C11H2%2C1H3,41.0,5.0,9.0,-0.999899983406067,4.0,0.999800026416779,4.86899995803833,3.10999989509583,25.0,34.7682991027832 +InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3,26.0,2.0,11.0,-0.199799999594688,1.0,0.0399200394749641,1.43499994277954,2.33999991416931,18.0,24.6411991119385 +InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-12%2C17H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%2B%2C17-%2C18%3F%2Fm0%2Fs1,43.0,2.0,8.0,-0.61760002374649,1.0,0.381429761648178,1.42599999904633,3.0,26.0,58.0499992370605 +InChI%3D1S%2FC17H21NO4%2Fc1-11%286-12-2-4-14%2819%295-3-12%2918-10-17%2822%2913-7-15%2820%299-16%2821%298-13%2Fh2-5%2C7-9%2C11%2C17-22H%2C6%2C10H2%2C1H3,43.0,7.0,8.0,-2.23709988594055,6.0,5.00461626052856,1.63100004196167,2.77999997138977,23.0,35.8305015563965 +InChI%3D1S%2FC9H11Cl2N3O4S2%2Fc1-14-9%284-10%2913-6-2-5%2811%297%2819%2812%2C15%2916%293-8%286%2920%2814%2C17%2918%2Fh2-3%2C9%2C13H%2C4H2%2C1H3%2C%28H2%2C12%2C15%2C16%29,31.0,3.0,15.0,-0.558700025081635,2.0,0.312145680189133,-0.222000002861023,1.24000000953674,21.0,50.4007987976074 +InChI%3D1S%2FC16H13ClN2O%2Fc1-19-14-8-7-12%2817%299-13%2814%2916%2818-10-15%2819%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3,33.0,0.0,17.0,-0.095600001513958,1.0,0.00913935992866755,3.85199999809265,2.77999997138977,22.0,29.9188995361328 +InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29,23.0,3.0,10.0,0.116999998688698,3.0,0.013689000159502,2.62899994850159,2.11999988555908,12.0,20.0860004425049 +InChI%3D1S%2FC37H48I6N6O18%2Fc1-48%2832-28%2840%2922%2834%2864%2944-12%284-50%2916%2858%298-54%2926%2838%2923%2829%2832%2941%2935%2865%2945-13%285-51%2917%2859%299-55%2920%2862%293-21%2863%2949%282%2933-30%2842%2924%2836%2866%2946-14%286-52%2918%2860%2910-56%2927%2839%2925%2831%2833%2943%2937%2867%2947-15%287-53%2919%2861%2911-57%2Fh12-19%2C50-61H%2C3-11H2%2C1-2H3%2C%28H%2C44%2C64%29%28H%2C45%2C65%29%28H%2C46%2C66%29%28H%2C47%2C67%29,115.0,10.0,15.0,0.881600022315979,26.0,0.777218580245972,-2.13499999046326,2.23000001907349,68.0,243.690795898438 +InChI%3D1S%2FC17H24O3%2Fc1-12-9-14%2811-17%282%2C3%2910-12%2920-16%2819%2915%2818%2913-7-5-4-6-8-13%2Fh4-8%2C12%2C14-15%2C18H%2C9-11H2%2C1-3H3,44.0,5.0,6.0,0.927900016307831,4.0,0.860998392105103,5.66499996185303,3.0,21.0,51.8087997436523 +InChI%3D1S%2FC11H12N4O3S%2Fc1-18-11-7-6-10%2813-14-11%2915-19%2816%2C17%299-4-2-8%2812%293-5-9%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C15%29,31.0,4.0,18.0,-1.73819994926453,4.0,3.02133917808533,1.26600003242493,1.78999996185303,20.0,22.679500579834 +InChI%3D1S%2FC5H9NO3S%2Fc1-3%287%296-4%282-10%295%288%299%2Fh4%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1,19.0,10.0,3.0,0.0540000014007092,3.0,0.00291600008495152,0.0469999983906746,1.46000003814697,9.0,37.8466987609863 +InChI%3D1S%2FC43H48N2O6S2.Na%2Fc1-42%282%2938%2844%2828-14-16-30-52%2846%2C47%2948%2936-26-24-32-18-10-12-20-34%2832%2940%2836%2942%2922-8-6-5-7-9-23-39-43%283%2C4%2941-35-21-13-11-19-33%2835%2925-27-37%2841%2945%2839%2929-15-17-31-53%2849%2C50%2951%3B%2Fh5-13%2C18-27H%2C14-17%2C28-31H2%2C1-4H3%2C%28H-%2C46%2C47%2C48%2C49%2C50%2C51%29%3B%2Fq%3B%2B1%2Fp-1,101.0,8.0,31.0,,14.0,,10.539999961853,4.98000001907349,58.0, +InChI%3D1S%2FC23H24O4%2Fc1-16%2824%2926-21-12-8-19%289-13-21%2923%2818-6-4-3-5-7-18%2920-10-14-22%2815-11-20%2927-17%282%2925%2Fh8-15H%2C3-7H2%2C1-2H3,51.0,4.0,20.0,-0.824999988079071,6.0,0.680625021457672,7.37099981307983,3.54999995231628,29.0,49.7761993408203 +InChI%3D1S%2FC16H21NO3.CH3Br%2Fc1-17-12-7-8-13%2817%2910-14%289-12%2920-16%2819%2915%2818%2911-5-3-2-4-6-11%3B1-2%2Fh2-6%2C12-15%2C18H%2C7-10H2%2C1H3%3B1H3%2Ft12-%2C13%2B%2C14%3F%2C15%3F%3B,46.0,5.0,6.0,-0.905099987983704,4.0,0.81920599937439,4.56899976730347,2.77999997138977,23.0,56.9096984863281 +InChI%3D1S%2FC12H20N4O7%2Fc1-4%2818%2915-8-5%2816-12%2813%2914%292-7%2811%2821%2922%2923-10%288%299%2820%296%2819%293-17%2Fh2%2C5-6%2C8-10%2C17%2C19-20H%2C3H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C21%2C22%29%28H4%2C13%2C14%2C16%29%2Ft5-%2C6%2B%2C8%2B%2C9%2B%2C10%3F%2Fm0%2Fs1,43.0,6.0,6.0,-2.64750003814697,7.0,7.00925636291504,-2.05800008773804,1.57000005245209,23.0,72.8872985839844 +InChI%3D1S%2FC19H35NO2%2Fc1-3-20%284-2%2915-16-22-18%2821%2919%2813-9-6-10-14-19%2917-11-7-5-8-12-17%2Fh17H%2C3-16H2%2C1-2H3,57.0,10.0,3.0,-1.1172000169754,8.0,1.24813580513,5.4980001449585,3.22000002861023,23.0,80.1223983764648 +InChI%3D1S%2FC47H72O14%2Fc1-24%282%2941-27%285%2916-17-46%2861-41%2922-33-19-32%2860-46%2915-14-26%284%2942%2825%283%2912-11-13-31-23-54-44-39%2848%2928%286%2918-34%2845%2850%2957-33%2947%2831%2C44%2951%2958-38-21-36%2853-10%2943%2830%288%2956-38%2959-37-20-35%2852-9%2940%2849%2929%287%2955-37%2Fh11-14%2C18%2C24-25%2C27%2C29-30%2C32-44%2C48-49%2C51H%2C15-17%2C19-23H2%2C1-10H3%2Fb12-11%2B%2C26-14%2B%2C31-13-%2Ft25-%2C27-%2C29-%2C30-%2C32%2B%2C33-%2C34-%2C35-%2C36-%2C37-%2C38-%2C39%2B%2C40-%2C41%2B%2C42-%2C43-%2C44%2B%2C46%2B%2C47%3F%2Fm0%2Fs1,133.0,2.0,4.0,-0.810800015926361,7.0,0.657396614551544,2.26999998092651,5.09000015258789,67.0,215.233703613281 +InChI%3D1S%2FC6H13NO2%2Fc7-5-3-1-2-4-6%288%299%2Fh1-5%2C7H2%2C%28H%2C8%2C9%29,22.0,9.0,3.0,-1.80729997158051,5.0,3.26633334159851,0.0480000004172325,1.78999996185303,8.0,29.4375991821289 +InChI%3D1S%2FC10H15N3O5%2Fc11-6%284-14%2910%2818%2913-12-3-5-1-2-7%2815%299%2817%298%285%2916%2Fh1-2%2C6%2C12%2C14-17H%2C3-4%2C11H2%2C%28H%2C13%2C18%29,33.0,9.0,9.0,-3.22699999809265,5.0,10.4135293960571,-0.0599999986588955,1.67999994754791,18.0,39.0041007995605 +InChI%3D1S%2FC29H24N4O8%2Fc34-25%2821-5-1-9-30-13-21%2938-17-29%2818-39-26%2835%2922-6-2-10-31-14-22%2C19-40-27%2836%2923-7-3-11-32-15-23%2920-41-28%2837%2924-8-4-12-33-16-24%2Fh1-16H%2C17-20H2,65.0,17.0,9.0,-0.687799990177155,16.0,0.473068833351135,3.40599989891052,3.32999992370605,44.0,46.636100769043 +InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29,25.0,2.0,8.0,0.659500002861023,3.0,0.434940248727798,0.365000009536743,1.35000002384186,21.0,19.2740001678467 +InChI%3D1S%2FC14H22N2O2%2Fc1-6-16%285%2914%2817%2918-13-9-7-8-12%2810-13%2911%282%2915%283%294%2Fh7-11H%2C6H2%2C1-5H3%2Ft11-%2Fm0%2Fs1,40.0,7.0,10.0,0.589699983596802,6.0,0.347746104001999,2.77999997138977,2.55999994277954,18.0,48.068000793457 +InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,42.0,8.0,6.0,0.241500005125999,6.0,0.0583222508430481,4.49900007247925,3.0,21.0,33.3703994750977 +InChI%3D1S%2FC19H29NO%2Fc21-19%2817-9-3-1-4-10-17%2C18-11-5-2-6-12-18%2913-16-20-14-7-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2,50.0,4.0,6.0,-2.22009992599487,5.0,4.92884397506714,5.60200023651123,3.32999992370605,23.0,51.0782012939453 +InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17-%2C18%3F%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24-%2C25%2B%2Fm0%2Fs1,65.0,4.0,6.0,-1.40409994125366,4.0,1.97149682044983,1.91400003433228,3.54999995231628,35.0,111.714698791504 +InChI%3D1S%2FC11H15NO2%2Fc1-8%282%297-14-11%2813%299-3-5-10%2812%296-4-9%2Fh3-6%2C8H%2C7%2C12H2%2C1-2H3,29.0,7.0,10.0,-0.256500005722046,4.0,0.0657922476530075,2.40199995040894,2.33999991416931,14.0,29.4937992095947 +InChI%3D1S%2FC18H18ClN3S%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3,41.0,0.0,15.0,1.02020001411438,1.0,1.04080808162689,4.63899993896484,2.89000010490417,26.0,49.5512008666992 +InChI%3D1S%2FC16H17N5O7S2%2Fc1-6%2822%2928-3-7-4-29-14-10%2813%2824%2921%2814%2911%287%2915%2825%2926%2919-12%2823%299%2820-27-2%298-5-30-16%2817%2918-8%2Fh5%2C10%2C14H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C23%29%28H%2C25%2C26%29%2Fb20-9-%2Ft10-%2C14-%2Fm1%2Fs1,49.0,7.0,8.0,-0.293599992990494,8.0,0.0862009599804878,0.061999998986721,1.67999994754791,32.0,105.444801330566 +InChI%3D1S%2FC6H12O6%2Fc7-1-3-4%289%295%2810%296%2811%2C2-8%2912-3%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6-%2Fm1%2Fs1,24.0,2.0,0.0,-2.56360006332397,2.0,6.57204484939575,-1.74000000953674,1.46000003814697,12.0,36.3608016967773 +InChI%3D1S%2FC18H22ClNO%2Fc1-18%2821-14-13-20%282%293%2C15-7-5-4-6-8-15%2916-9-11-17%2819%2912-10-16%2Fh4-12H%2C13-14H2%2C1-3H3,43.0,8.0,6.0,0.98580002784729,6.0,0.97180163860321,5.60599994659424,3.10999989509583,22.0,38.9860000610352 +InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1,89.0,9.0,7.0,0.868900001049042,13.0,0.754987180233002,5.7039999961853,4.32000017166138,48.0,146.226898193359 +InChI%3D1S%2FC12H16F3N%2Fc1-3-16-9%282%297-10-5-4-6-11%288-10%2912%2813%2C14%2915%2Fh4-6%2C8-9%2C16H%2C3%2C7H2%2C1-2H3,32.0,6.0,6.0,1.09370005130768,5.0,1.19617974758148,4.87599992752075,2.33999991416931,16.0,33.8871002197266 +InChI%3D1S%2FC14H10N4O5%2Fc19-13-8-17%2814%2820%2916-13%2915-7-11-5-6-12%2823-11%299-1-3-10%284-2-9%2918%2821%2922%2Fh1-7H%2C8H2%2C%28H%2C16%2C19%2C20%29,33.0,2.0,22.0,-1.28090000152588,4.0,1.64070475101471,3.05299997329712,2.00999999046326,25.0,32.3368988037109 +InChI%3D1S%2FC9H11FN2O5%2Fc1-3-5%2813%296%2814%298%2817-3%2912-2-4%2810%297%2815%2911-9%2812%2916%2Fh2-3%2C5-6%2C8%2C13-14H%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft3-%2C5-%2C6-%2C8%3F%2Fm1%2Fs1,32.0,0.0,4.0,-1.55729997158051,1.0,2.42518329620361,-1.432000041008,1.57000005245209,18.0,50.6855010986328 +InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,17.0,4.0,10.0,-1.230299949646,2.0,1.51363813877106,-0.570999979972839,1.67999994754791,10.0,12.7256002426147 +InChI%3D1S%2FC27H36N2O4%2Fc1-4-33-25-17-20%2812-13-22%2825%2927%2831%2932%2918-26%2830%2928-23%2816-19%282%293%2921-10-6-7-11-24%2821%2929-14-8-5-9-15-29%2Fh6-7%2C10-13%2C17%2C19%2C23H%2C4-5%2C8-9%2C14-16%2C18H2%2C1-3H3%2C%28H%2C28%2C30%29%28H%2C31%2C32%29%2Ft23-%2Fm0%2Fs1,69.0,9.0,10.0,-0.249599993228912,10.0,0.0623001605272293,6.57000017166138,3.76999998092651,35.0,74.9357986450195 +InChI%3D1S%2FC17H26N2O4S%2Fc1-4-19-10-6-7-13%2819%2912-18-17%2820%2915-11-14%2824%2821%2C22%295-2%298-9-16%2815%2923-3%2Fh8-9%2C11%2C13H%2C4-7%2C10%2C12H2%2C1-3H3%2C%28H%2C18%2C20%29,50.0,5.0,13.0,-0.667400002479553,7.0,0.445422768592834,2.11999988555908,2.55999994277954,25.0,65.7714996337891 +InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18-%2C20-%2C22%3F%2Fm1%2Fs1,65.0,10.0,3.0,-2.08550000190735,14.0,4.34931039810181,3.56699991226196,3.32999992370605,27.0,96.8757019042969 +InChI%3D1S%2FC6H12O3%2Fc1-4-7-5%282%299-6%283%298-4%2Fh4-6H%2C1-3H3,21.0,0.0,0.0,0.957599997520447,0.0,0.916997730731964,1.22099995613098,1.78999996185303,9.0,30.2247009277344 +InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-11%287%283%295-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,32.0,4.0,8.0,-0.505100011825562,4.0,0.255125999450684,2.70300006866455,2.11999988555908,16.0,56.3633003234863 +InChI%3D1S%2FC10H16N2O3%2Fc1-4-6%283%2910%285-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,31.0,4.0,8.0,-1.22689998149872,3.0,1.50528359413147,2.5,2.00999999046326,15.0,51.8120002746582 +InChI%3D1S%2FC22H30N4O2S2%2Fc1-23%282%2930%2827%2C28%2918-9-10-22-20%2817-18%2926%2819-7-4-5-8-21%2819%2929-22%2912-6-11-25-15-13-24%283%2914-16-25%2Fh4-5%2C7-10%2C17H%2C6%2C11-16H2%2C1-3H3,60.0,6.0,17.0,-0.217800006270409,6.0,0.0474368408322334,2.71700000762939,3.0,33.0,75.9039993286133 +InChI%3D1S%2FC12H13I3N2O2%2Fc1-17%282%296-16-12-9%2814%295-8%2813%297%2811%2812%2915%293-4-10%2818%2919%2Fh5-6H%2C3-4H2%2C1-2H3%2C%28H%2C18%2C19%29,32.0,5.0,9.0,3.77679991722107,5.0,14.2642183303833,4.49700021743774,2.00999999046326,19.0,79.9169006347656 +InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2812%2820-2%2915-14-11%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29,35.0,4.0,19.0,-1.78999996185303,5.0,3.20409989356995,0.822000026702881,1.78999996185303,22.0,29.9953002929688 +InChI%3D1S%2FC28H33ClN2%2Fc1-28%282%2C3%2925-13-9-22%2810-14-25%2921-30-17-19-31%2820-18-30%2927%2823-7-5-4-6-8-23%2924-11-15-26%2829%2916-12-24%2Fh4-16%2C27H%2C17-21H2%2C1-3H3,64.0,3.0,6.0,2.3345000743866,6.0,5.44989013671875,9.9359998703003,4.21000003814697,34.0,57.4972991943359 +InChI%3D1S%2FC21H41N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh5-18%2C26%2C29-36H%2C3-4H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6-%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1,81.0,4.0,4.0,-6.10669994354248,11.0,37.2917861938477,-3.77500009536743,1.67999994754791,42.0,123.145202636719 +InChI%3D1S%2FC7H7NO3%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29,18.0,2.0,11.0,-1.45000004768372,1.0,2.10249996185303,0.46900001168251,1.78999996185303,11.0,14.0059995651245 +InChI%3D1S%2FC27H34O3%2Fc1-27-16-15-22-21-11-9-20%2828%2917-19%2821%298-10-23%2822%2924%2827%2912-13-25%2827%2930-26%2829%2914-7-18-5-3-2-4-6-18%2Fh2-6%2C17%2C21-25H%2C7-16H2%2C1H3%2Ft21%3F%2C22-%2C23%3F%2C24%2B%2C25%2B%2C27%3F%2Fm1%2Fs1,64.0,5.0,6.0,0.342799991369247,5.0,0.117511838674545,7.69199991226196,4.09999990463257,34.0,89.3463973999023 +InChI%3D1S%2FC15H25NO3%2Fc1-12%282%2916-10-14%2817%2911-19-15-6-4-13%285-7-15%298-9-18-3%2Fh4-7%2C12%2C14%2C16-17H%2C8-11H2%2C1-3H3,44.0,9.0,7.0,-0.794399976730347,9.0,0.631071388721466,2.03399991989136,2.67000007629395,19.0,51.9810981750488 +InChI%3D1S%2FC16H14FN3O%2Fc1-10-4-2-3-5-14%2810%2920-15%289-17%2919-13-7-6-11%2818%298-12%2813%2916%2820%2921%2Fh2-8H%2C9%2C18H2%2C1H3,37.0,2.0,17.0,-0.539600014686584,2.0,0.29116815328598,3.54200005531311,2.67000007629395,23.0,29.2278995513916 +InChI%3D1S%2FC13H15N3O4S%2Fc1-8-9%282%2915-20-13%288%2916%2810%283%2917%2921%2818%2C19%2912-6-4-11%2814%295-7-12%2Fh4-7H%2C14H2%2C1-3H3,36.0,7.0,13.0,-0.872600018978119,4.0,0.761430740356445,1.48599994182587,2.00999999046326,22.0,38.5833015441895 +InChI%3D1S%2FC7H11NO3%2Fc1-4-7%282%295%289%298%283%296%2810%2911-7%2Fh4H2%2C1-3H3,22.0,2.0,6.0,-0.187299996614456,1.0,0.0350812897086143,0.349000006914139,1.78999996185303,11.0,36.276798248291 +InChI%3D1S%2FC21H43N5O7%2Fc1-9%2825-3%2913-6-5-10%2822%2919%2831-13%2932-16-11%2823%297-12%2824%2917%2814%2816%2927%2933-20-15%2828%2918%2826-4%2921%282%2C29%298-30-20%2Fh9-20%2C25-29H%2C5-8%2C22-24H2%2C1-4H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%2B%2C15-%2C16-%2C17%2B%2C18-%2C19%3F%2C20%3F%2C21%2B%2Fm1%2Fs1,76.0,4.0,0.0,-5.76929998397827,7.0,33.2848243713379,-2.88000011444092,2.45000004768372,35.0,112.545097351074 +InChI%3D1S%2FC16H22ClNO4%2Fc1-16%282%2C22-13-9-7-12%2817%298-10-13%2915%2820%2921-11-5-6-14%2819%2918%283%294%2Fh7-10H%2C5-6%2C11H2%2C1-4H3,44.0,15.0,7.0,0.421400010585785,9.0,0.177577957510948,2.61700010299683,2.55999994277954,22.0,58.3022994995117 +InChI%3D1S%2FC19H31NO%2Fc1-20%282%2915-10-16-21-19%2813-8-3-4-9-14-19%2917-18-11-6-5-7-12-18%2Fh5-7%2C11-12H%2C3-4%2C8-10%2C13-17H2%2C1-2H3,52.0,7.0,6.0,-0.805599987506866,7.0,0.648991346359253,6.30999994277954,3.32999992370605,22.0,55.8540992736816 +InChI%3D1S%2FC22H30N2O2S%2Fc1-3-21%2825%2924%2819-8-5-4-6-9-19%2922%2818-26-2%2912-15-23%2816-13-22%2914-11-20-10-7-17-27-20%2Fh4-10%2C17H%2C3%2C11-16%2C18H2%2C1-2H3,57.0,5.0,9.0,-1.09920001029968,9.0,1.20824062824249,4.80399990081787,3.32999992370605,29.0,65.7833023071289 +InChI%3D1S%2FC17H22NO.C11H8O3%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%3B12-10-6-8-4-2-1-3-7%288%295-9%2810%2911%2813%2914%2Fh3-12H%2C13-15H2%2C1-2H3%3B1-6%2C12H%2C%28H%2C13%2C14%29%2Fq%2B1%3B%2Fp-1,62.0,7.0,14.0,-2.39249992370605,7.0,5.72405624389648,8.7189998626709,3.99000000953674,35.0,34.3684005737305 +InChI%3D1S%2FC7H5I2NO3.C4H11NO2%2Fc8-4-1-10%283-6%2811%2912%292-5%289%297%284%2913%3B6-3-1-5-2-4-7%2Fh1-2H%2C3H2%2C%28H%2C11%2C12%29%3B5-7H%2C1-4H2,40.0,7.0,3.0,0.562399983406067,6.0,0.316293746232986,,1.67999994754791,19.0,91.2657012939453 +InChI%3D1S%2FC20H22N2%2Fc1-22-13-10-16%2811-14-22%2919-18-7-3-2-5-15%2818%298-9-17-6-4-12-21-20%2817%2919%2Fh2-7%2C12H%2C8-11%2C13-14H2%2C1H3,44.0,0.0,14.0,0.851300001144409,0.0,0.724711716175079,4.83900022506714,3.44000005722046,25.0,44.5318984985352 +InChI%3D1S%2FC19H24N2O3%2Fc1-13%287-8-14-5-3-2-4-6-14%2921-12-18%2823%2915-9-10-17%2822%2916%2811-15%2919%2820%2924%2Fh2-6%2C9-11%2C13%2C18%2C21-23H%2C7-8%2C12H2%2C1H3%2C%28H2%2C20%2C24%29,48.0,8.0,10.0,-1.68610000610352,8.0,2.842933177948,5.25299978256226,3.0,25.0,42.089298248291 +InChI%3D1S%2FC13H19ClN2O2%2Fc1-3-16%284-2%297-8-18-13%2817%2911-6-5-10%2815%299-12%2811%2914%2Fh5-6%2C9H%2C3-4%2C7-8%2C15H2%2C1-2H3,37.0,10.0,10.0,0.645099997520447,7.0,0.416153997182846,2.11899995803833,2.33999991416931,18.0,48.4328002929688 +InChI%3D1S%2FC12H15N5O3S%2Fc1-7-8%282%2920-12%2815-7%2916-11%2814%2917-21%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-6H%2C13H2%2C1-2H3%2C%28H3%2C14%2C15%2C16%2C17%29,36.0,7.0,14.0,-0.919700026512146,5.0,0.845848083496094,2.66599988937378,1.78999996185303,22.0,37.1474990844727 +InChI%3D1S%2FC26H27NO9%2Fc1-10-21%2829%2915%2827%297-17%2835-10%2936-16-9-26%2834%2C11%282%2928%298-14-18%2816%2925%2833%2920-19%2824%2814%2932%2922%2830%2912-5-3-4-6-13%2812%2923%2820%2931%2Fh3-6%2C10%2C15-17%2C21%2C29%2C32-34H%2C7-9%2C27H2%2C1-2H3%2Ft10-%2C15-%2C16-%2C17-%2C21%2B%2C26-%2Fm0%2Fs1,63.0,2.0,18.0,-3.6949999332428,3.0,13.6530246734619,-0.204999998211861,3.22000002861023,40.0,76.2698974609375 +InChI%3D1S%2FC35H61NO12%2Fc1-16-14-35%2815-43-35%2932%2840%2919%284%2927%2837%2918%283%2922%287%2946-33%2841%2921%286%2931%2847-26-13-25%2842-11%2928%2838%2923%288%2945-26%2920%285%2930%2816%2948-34-29%2839%2924%2836%289%2910%2912-17%282%2944-34%2Fh16-31%2C34%2C37-39H%2C12-15H2%2C1-11H3%2Ft16-%2C17%2B%2C18-%2C19%2B%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25-%2C26-%2C27-%2C28-%2C29%2B%2C30%3F%2C31-%2C34-%2C35-%2Fm0%2Fs1,109.0,2.0,3.0,-2.22309994697571,6.0,4.94217348098755,0.695999979972839,3.88000011444092,51.0,169.08219909668 +InChI%3D1S%2FC32H41NO2%2Fc1-31%282%2C3%2926-18-16-25%2817-19-26%2930%2834%2915-10-22-33-23-20-29%2821-24-33%2932%2835%2C27-11-6-4-7-12-27%2928-13-8-5-9-14-28%2Fh4-9%2C11-14%2C16-19%2C29-30%2C34-35H%2C10%2C15%2C20-24H2%2C1-3H3,76.0,5.0,6.0,-1.10979998111725,9.0,1.23165607452393,10.8970003128052,4.65000009536743,38.0,61.4407005310059 +InChI%3D1S%2FC25H35NO5%2Fc1-6-26%2819%282%2917-20-9-12-22%2828-3%2913-10-20%2915-7-8-16-31-25%2827%2921-11-14-23%2829-4%2924%2818-21%2930-5%2Fh9-14%2C18-19H%2C6-8%2C15-17H2%2C1-5H3,66.0,13.0,11.0,-0.370099991559982,14.0,0.136974006891251,5.10699987411499,3.54999995231628,32.0,70.5372009277344 +InChI%3D1S%2FC20H25N3O%2Fc1-4-23%285-2%2920%2824%2914-9-16-15-7-6-8-17-19%2815%2913%2811-21-17%2910-18%2816%2922%283%2912-14%2Fh6-9%2C11%2C14%2C18%2C21H%2C4-5%2C10%2C12H2%2C1-3H3%2Ft14-%2C18-%2Fm1%2Fs1,48.0,7.0,9.0,0.337199985980988,4.0,0.113703839480877,2.22099995613098,3.22000002861023,27.0,61.7127990722656 +InChI%3D1S%2FC10H16N2OS%2Fc1-4-5-12-9%2813%298%286-7%282%293%2911-10%2812%2914%2Fh4%2C7-8H%2C1%2C5-6H2%2C2-3H3%2C%28H%2C11%2C14%29,30.0,4.0,5.0,1.81980001926422,4.0,3.31167197227478,1.88199996948242,2.11999988555908,14.0,59.2346000671387 +InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3,34.0,9.0,8.0,0.349000006914139,5.0,0.121800996363163,3.82800006866455,2.67000007629395,15.0,37.4464988708496 +InChI%3D1S%2FC10H14N2O4%2Fc1-10%2812-11%2C9%2815%2916%295-6-2-3-7%2813%298%2814%294-6%2Fh2-4%2C12-14H%2C5%2C11H2%2C1H3%2C%28H%2C15%2C16%29%2Ft10-%2Fm0%2Fs1,30.0,8.0,8.0,-1.70050001144409,4.0,2.89170026779175,-0.0590000003576279,1.89999997615814,16.0,33.7226982116699 +InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,35.0,6.0,9.0,-1.30949997901917,6.0,1.71479022502899,2.76900005340576,2.33999991416931,16.0,39.6456985473633 +InChI%3D1S%2FC17H21NO%2Fc1-18%282%2913-14-19-17%2815-9-5-3-6-10-15%2916-11-7-4-8-12-16%2Fh3-12%2C17H%2C13-14H2%2C1-2H3,40.0,7.0,6.0,0.0364999994635582,6.0,0.00133224995806813,5.72599983215332,3.10999989509583,20.0,28.7327995300293 +InChI%3D1S%2FC20H23N7O7%2Fc21-20-25-16-15%2818%2832%2926-20%2927%289-28%2912%288-23-16%297-22-11-3-1-10%282-4-11%2917%2831%2924-13%2819%2833%2934%295-6-14%2829%2930%2Fh1-4%2C9%2C12-13%2C22H%2C5-8H2%2C%28H%2C24%2C31%29%28H%2C29%2C30%29%28H%2C33%2C34%29%28H4%2C21%2C23%2C25%2C26%2C32%29,61.0,12.0,10.0,-3.81220006942749,11.0,14.5328683853149,-1.05099999904633,2.11999988555908,36.0,84.397102355957 +InChI%3D1S%2FC22H30N2%2Fc1-3-23%284-2%2915-10-16-24%2821-13-6-5-7-14-21%2922-17-19-11-8-9-12-20%2819%2918-22%2Fh5-9%2C11-14%2C22H%2C3-4%2C10%2C15-18H2%2C1-2H3,54.0,9.0,7.0,0.541400015354156,8.0,0.293113946914673,7.01399993896484,3.66000008583069,26.0,51.24169921875 +InChI%3D1S%2FC19H21NS%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3,42.0,6.0,14.0,0.81580001115799,3.0,0.665529668331146,5.85099983215332,3.32999992370605,23.0,43.519401550293 +InChI%3D1S%2FC12H19NO3%2Fc1-9%282%2913-7-11%2815%298-16-12-5-3-10%2814%294-6-12%2Fh3-6%2C9%2C11%2C13-15H%2C7-8H2%2C1-2H3,35.0,9.0,8.0,-1.47010004520416,6.0,2.16119408607483,1.21399998664856,2.33999991416931,16.0,38.0658988952637 +InChI%3D1S%2FC24H21I6N5O8%2Fc1-7%2837%2935%283%2920-17%2829%2910%2821%2839%2931-2%2913%2825%2911%2818%2820%2930%2923%2841%2933-6-8%2838%2934-19-15%2827%299%2822%2840%2932-4-5-36%2914%2826%2912%2816%2819%2928%2924%2842%2943%2Fh36H%2C4-6H2%2C1-3H3%2C%28H%2C31%2C39%29%28H%2C32%2C40%29%28H%2C33%2C41%29%28H%2C34%2C38%29%28H%2C42%2C43%29,64.0,7.0,15.0,6.33470010757446,11.0,40.1284255981445,4.76200008392334,2.00999999046326,44.0,165.145401000977 +InChI%3D1S%2FC15H14O3%2Fc1-11%2815%2816%2917%2912-6-5-9-14%2810-12%2918-13-7-3-2-4-8-13%2Fh2-11H%2C1H3%2C%28H%2C16%2C17%29,32.0,5.0,13.0,-0.09910000115633,4.0,0.00982080958783627,4.62799978256226,2.77999997138977,19.0,18.1924991607666 +InChI%3D1S%2FC19H27N5O3%2Fc1-4-6-17%2825%2923-7-5-8-24%2810-9-23%2919-21-14-12-16%2827-3%2915%2826-2%2911-13%2814%2918%2820%2922-19%2Fh11-12H%2C4-10H2%2C1-3H3%2C%28H2%2C20%2C21%2C22%29,56.0,5.0,12.0,-1.34730005264282,6.0,1.81521725654602,1.52900004386902,2.67000007629395,29.0,75.4775009155273 +InChI%3D1S%2FC5H15N2O3PS%2Fc6-2-1-3-7-4-5-12-11%288%2C9%2910%2Fh7H%2C1-6H2%2C%28H2%2C8%2C9%2C10%29,27.0,12.0,4.0,-1.24979996681213,7.0,1.56200003623962,-1.86600005626678,1.24000000953674,11.0,48.5896987915039 +InChI%3D1S%2FC17H18N2O5S%2Fc18-25%2822%2C23%2915-11-12%2817%2820%2921%2910-14%2819-8-4-5-9-19%2916%2815%2924-13-6-2-1-3-7-13%2Fh1-3%2C6-7%2C10-11H%2C4-5%2C8-9H2%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29,43.0,3.0,21.0,-1.87000000476837,5.0,3.49690008163452,2.32100009918213,2.45000004768372,27.0,38.1255989074707 +InChI%3D1S%2FC24H33NO3%2Fc1-3-25%284-2%2914-16-28-24%2826%2921%2818-22-12-8-15-27-22%2917-20-11-7-10-19-9-5-6-13-23%2819%2920%2Fh5-7%2C9-11%2C13%2C21-22H%2C3-4%2C8%2C12%2C14-18H2%2C1-2H3,61.0,13.0,10.0,0.313899993896484,11.0,0.0985332131385803,7.12599992752075,3.66000008583069,30.0,66.9755020141602 +InChI%3D1S%2FC8H7ClN2O2S%2Fc1-5-10-7-3-2-6%289%294-8%287%2914%2812%2C13%2911-5%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%29,21.0,0.0,12.0,-0.147599995136261,0.0,0.0217857602983713,1.42700004577637,1.67999994754791,15.0,28.380199432373 +InChI%3D1S%2FC14H12O3%2Fc1-7-4-12%2815%2917-14-9%283%2913-10%286-11%287%2914%295-8%282%2916-13%2Fh4-6H%2C1-3H3,31.0,0.0,12.0,1.00450003147125,0.0,1.00902020931244,2.99600005149841,2.67000007629395,19.0,32.2299003601074 +InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,19.0,0.0,9.0,0.00609999988228083,0.0,3.72100003005471e-05,2.45099997520447,2.23000001907349,12.0,15.7062997817993 +InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,43.0,4.0,18.0,-1.68340003490448,5.0,2.83383560180664,5.66400003433228,3.10999989509583,25.0,34.6782989501953 +InChI%3D1S%2FC30H42O8%2Fc1-16-24%2832%2925%2833%2926%2834%2927%2837-16%2938-19-8-11-28%282%2918%2814-19%295-6-22-21%2828%299-12-29%283%2920%2810-13-30%2822%2C29%2935%2917-4-7-23%2831%2936-15-17%2Fh4%2C7%2C14-16%2C19-22%2C24-27%2C32-35H%2C5-6%2C8-13H2%2C1-3H3%2Ft16-%2C19-%2C20%2B%2C21%3F%2C22%2B%2C24-%2C25%2B%2C26%2B%2C27-%2C28-%2C29%2B%2C30%3F%2Fm0%2Fs1,84.0,0.0,3.0,-1.23450005054474,3.0,1.52399027347565,3.10500001907349,3.88000011444092,43.0,135.280303955078 +InChI%3D1S%2FC10H14N4O4%2Fc1-12-8-7%289%2817%2913%282%2910%2812%2918%2914%285-11-8%293-6%2816%294-15%2Fh5-6%2C15-16H%2C3-4H2%2C1-2H3,32.0,5.0,6.0,-1.4811999797821,3.0,2.19395351409912,-2.00600004196167,1.67999994754791,19.0,47.1269989013672 +InChI%3D1S%2FC19H25N5O4%2Fc1-26-15-10-12-13%2811-16%2815%2927-2%2921-19%2822-17%2812%2920%2924-7-5-23%286-8-24%2918%2825%2914-4-3-9-28-14%2Fh10-11%2C14H%2C3-9H2%2C1-2H3%2C%28H2%2C20%2C21%2C22%29,55.0,2.0,12.0,-1.73300004005432,5.0,3.00328898429871,0.439999997615814,2.55999994277954,31.0,74.6837005615234 +InChI%3D1S%2FC28H37FO7%2Fc1-15%282%2924%2834%2936-28%2823%2833%2914-35-17%284%2930%2916%283%2911-21-20-8-7-18-12-19%2831%299-10-25%2818%2C5%2927%2820%2C29%2922%2832%2913-26%2821%2C28%296%2Fh9-10%2C12%2C15-16%2C20-22%2C32H%2C7-8%2C11%2C13-14H2%2C1-6H3%2Ft16-%2C20-%2C21%3F%2C22-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1,73.0,7.0,6.0,0.538600027561188,7.0,0.290089964866638,2.73499989509583,3.66000008583069,39.0,129.260498046875 +InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-19%2C21-23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%2B%2C18-%2C19%3F%2Fm0%2Fs1,59.0,9.0,3.0,-2.77239990234375,12.0,7.68620157241821,3.20300006866455,3.10999989509583,25.0,88.5842971801758 +InChI%3D1S%2FC22H22N2O8%2Fc1-7-8-5-4-6-9%2825%2911%288%2916%2826%2912-10%287%2917%2827%2914-15%2824%282%293%2918%2828%2913%2821%2823%2931%2920%2830%2922%2814%2C32%2919%2812%2929%2Fh4-6%2C10%2C14-15%2C17%2C25%2C27-29%2C32H%2C1H2%2C2-3H3%2C%28H2%2C23%2C31%29%2Ft10-%2C14-%2C15%2B%2C17%2B%2C22%2B%2Fm1%2Fs1,54.0,2.0,14.0,-2.66490006446838,2.0,7.10169219970703,0.695999979972839,2.77999997138977,35.0,87.1699981689453 +InChI%3D1S%2FC18H23NO%2Fc1-15-9-7-8-12-17%2815%2918%2820-14-13-19%282%293%2916-10-5-4-6-11-16%2Fh4-12%2C18H%2C13-14H2%2C1-3H3,43.0,7.0,6.0,0.67849999666214,6.0,0.460362255573273,6.04899978637695,3.22000002861023,21.0,34.2349014282227 +InChI%3D1S%2FC4H6O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,14.0,8.0,3.0,-0.409999996423721,3.0,0.168099999427795,-0.709999978542328,1.46000003814697,7.0,23.5370006561279 +InChI%3D1S%2FC9H8O4%2Fc1-6%2810%2913-8-5-3-2-4-7%288%299%2811%2912%2Fh2-5H%2C1H3%2C%28H%2C11%2C12%29,21.0,4.0,12.0,-0.321000009775162,3.0,0.103041000664234,2.02099990844727,2.00999999046326,13.0,18.9354000091553 +InChI%3D1S%2FC17H16ClN3O%2Fc18-12-5-6-15-13%2811-12%2917%2821-9-7-19-8-10-21%2920-14-3-1-2-4-16%2814%2922-15%2Fh1-6%2C11%2C19H%2C7-10H2,38.0,0.0,16.0,-0.260399997234344,1.0,0.0678081586956978,4.06899976730347,2.77999997138977,25.0,38.0820999145508 +InChI%3D1S%2FC20H32O2%2Fc1-12-11-20%283%2913%2810-17%2812%2921%294-5-14-15-6-7-18%2822%2919%2815%2C2%299-8-16%2814%2920%2Fh12-16%2C18%2C22H%2C4-11H2%2C1-3H3%2Ft12-%2C13%2B%2C14%3F%2C15%2B%2C16%2B%2C18%2B%2C19%2B%2C20%2B%2Fm1%2Fs1,54.0,0.0,2.0,0.536700010299683,0.0,0.288046896457672,4.79099988937378,3.44000005722046,25.0,84.5472030639648 +InChI%3D1S%2FC20H20N6O9S%2Fc1-25-19%2822-23-24-25%2936-8-10-7-35-18-20%2834-2%2C17%2833%2926%2818%2913%2810%2916%2831%2932%2921-14%2828%2912%2815%2829%2930%299-3-5-11%2827%296-4-9%2Fh3-6%2C12%2C18%2C27H%2C7-8H2%2C1-2H3%2C%28H%2C21%2C28%29%28H%2C29%2C30%29%28H%2C31%2C32%29%2Ft12%3F%2C18-%2C20%2B%2Fm1%2Fs1,56.0,7.0,8.0,-1.29999995231628,9.0,1.69000005722046,-1.15600001811981,1.89999997615814,39.0,85.1945037841797 +InChI%3D1S%2FC7H11NO2%2Fc1-3-7%282%294-5%289%298-6%287%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C8%2C9%2C10%29,21.0,1.0,5.0,-0.237399995326996,1.0,0.0563587583601475,0.750999987125397,1.89999997615814,10.0,36.2402000427246 +InChI%3D1S%2FC16H16N2O6S2%2Fc1-8%2819%2924-6-9-7-26-15-12%2814%2821%2918%2815%2913%289%2916%2822%2923%2917-11%2820%295-10-3-2-4-25-10%2Fh2-4%2C12%2C15H%2C5-7H2%2C1H3%2C%28H%2C17%2C20%29%28H%2C22%2C23%29%2Ft12-%2C15-%2Fm1%2Fs1,42.0,5.0,8.0,0.00230000005103648,7.0,5.28999999005464e-06,0.384999990463257,2.11999988555908,28.0,79.3404006958008 +InChI%3D1S%2FC27H29NO10%2Fc1-10-22%2830%2914%2828%297-17%2837-10%2938-16-9-27%2835%2C11%282%2929%298-13-19%2816%2926%2834%2921-20%2824%2813%2932%2923%2831%2912-5-4-6-15%2836-3%2918%2812%2925%2821%2933%2Fh4-6%2C10%2C14%2C16-17%2C22%2C30%2C32%2C34-35H%2C7-9%2C28H2%2C1-3H3%2Ft10-%2C14-%2C16-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1,67.0,2.0,19.0,-3.7467999458313,4.0,14.0385103225708,-1.07099997997284,3.22000002861023,42.0,83.5857009887695 +InChI%3D1S%2FC13H12N8O4S3%2Fc22-7%281-20-4-14-18-19-20%2916-8-10%2823%2921-9%2812%2824%2925%296%282-26-11%288%2921%293-27-13-17-15-5-28-13%2Fh4-5%2C8%2C11H%2C1-3H2%2C%28H%2C16%2C22%29%28H%2C24%2C25%29%2Ft8-%2C11-%2Fm1%2Fs1,40.0,4.0,8.0,0.450700014829636,7.0,0.203130483627319,-1.34800004959106,1.24000000953674,31.0,78.3285980224609 +InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,19.0,4.0,10.0,-0.449099987745285,2.0,0.201690807938576,1.39100003242493,2.00999999046326,11.0,14.5530004501343 +InChI%3D1S%2FC19H17ClN2O%2Fc20-15-8-9-17-16%2810-15%2919%2814-4-2-1-3-5-14%2921-11-18%2823%2922%2817%2912-13-6-7-13%2Fh1-5%2C8-10%2C13H%2C6-7%2C11-12H2,40.0,0.0,17.0,0.0187999997287989,3.0,0.000353440002072603,4.59000015258789,3.10999989509583,26.0,40.6408004760742 +InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-38-17-32%2853%2944%2822%282%2962-38%2968-39-18-33%2864-24%284%2951%2945%2823%283%2963-39%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2931%2852%2916-37%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-30%2847%2915-35%2854%2948%286%2928%2810-12-49%2829%2C48%2959%2925-13-36%2855%2960-20-25%2Fh13%2C21-23%2C26-35%2C37-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34-%2C35-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43-%2C44-%2C45-%2C46%2B%2C47%2B%2C48%2B%2C49%3F%2Fm1%2Fs1,145.0,4.0,5.0,-5.0460000038147,12.0,25.4621162414551,1.37699997425079,4.65000009536743,77.0,226.028793334961 +InChI%3D1S%2FC10H14N4O3%2Fc1-6%2815%294-14-5-11-8-7%2814%299%2816%2913%283%2910%2817%2912%288%292%2Fh5-6%2C15H%2C4H2%2C1-3H3,31.0,4.0,6.0,-0.981199979782104,2.0,0.962753415107727,-0.874000012874603,1.78999996185303,18.0,45.7489013671875 +InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,21.0,3.0,2.0,-0.419200003147125,3.0,0.175728633999825,0.017000000923872,1.46000003814697,12.0,23.6714992523193 +InChI%3D1S%2FC14H10N2O6%2Fc17-11-3-1-7%285-9%2811%2913%2819%2920%2915-16-8-2-4-12%2818%2910%286-8%2914%2821%2922%2Fh1-6%2C17-18H%2C%28H%2C19%2C20%29%28H%2C21%2C22%29,32.0,3.0,22.0,-1.40020000934601,4.0,1.96056008338928,3.08400011062622,2.11999988555908,23.0,19.5678005218506 +InChI%3D1S%2FC11H11ClO3%2Fc1-2-5-15-10-4-3-8%286-9%2810%2912%297-11%2813%2914%2Fh2-4%2C6H%2C1%2C5%2C7H2%2C%28H%2C13%2C14%29,26.0,4.0,7.0,1.10430002212524,5.0,1.21947848796844,2.29200005531311,2.23000001907349,15.0,33.8625984191895 +InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3,38.0,8.0,7.0,-0.794900000095367,5.0,0.631866037845612,1.17299997806549,2.45000004768372,17.0,43.3166007995605 +InChI%3D1S%2FC11H21N%2Fc1-10%282%298-5-6-9%287-8%2911%2810%2C3%2912-4%2Fh8-9%2C12H%2C5-7H2%2C1-4H3,33.0,2.0,0.0,0.712100028991699,1.0,0.507086396217346,2.65700006484985,2.55999994277954,13.0,50.0315017700195 +InChI%3D1S%2FC14H21N3O3S%2Fc1-12-6-8-13%289-7-12%2921%2819%2C20%2916-14%2818%2915-17-10-4-2-3-5-11-17%2Fh6-9H%2C2-5%2C10-11H2%2C1H3%2C%28H2%2C15%2C16%2C18%29,42.0,7.0,14.0,-0.973299980163574,4.0,0.947312891483307,3.71499991416931,2.23000001907349,22.0,49.0900001525879 +InChI%3D1S%2FC19H19NOS%2Fc1-20-9-6-13%287-10-20%2918-15-5-3-2-4-14%2815%2912-17%2821%2919-16%2818%298-11-22-19%2Fh2-5%2C8%2C11H%2C6-7%2C9-10%2C12H2%2C1H3,41.0,0.0,15.0,1.08809995651245,0.0,1.18396162986755,3.88599991798401,3.22000002861023,25.0,52.4897994995117 +InChI%3D1S%2FC28H31FN4O%2Fc1-34-25-12-8-21%289-13-25%2914-17-32-18-15-24%2816-19-32%2930-28-31-26-4-2-3-5-27%2826%2933%2828%2920-22-6-10-23%2829%2911-7-22%2Fh2-13%2C24H%2C14-20H2%2C1H3%2C%28H%2C30%2C31%29,65.0,2.0,10.0,-0.464899986982346,7.0,0.216132014989853,7.51800012588501,3.88000011444092,38.0,54.714298248291 +InChI%3D1S%2FC14H21N3O3S%2Fc1-10-7-8-12%289-13%2810%2915%2921%2819%2C20%2917-14%2818%2916-11-5-3-2-4-6-11%2Fh7-9%2C11H%2C2-6%2C15H2%2C1H3%2C%28H2%2C16%2C17%2C18%29,42.0,7.0,14.0,-2.21009993553162,4.0,4.8845419883728,2.45199990272522,2.23000001907349,22.0,47.2057991027832 +InChI%3D1S%2FC8H8F3N3O4S2%2Fc9-8%2810%2C11%294-1-5-7%282-6%284%2919%2812%2C15%2916%2920%2817%2C18%2914-3-13-5%2Fh1-2%2C13-14H%2C3H2%2C%28H2%2C12%2C15%2C16%29,28.0,4.0,15.0,-1.18980002403259,2.0,1.41562402248383,-0.245000004768372,1.01999998092651,21.0,36.2517013549805 +InChI%3D1S%2FC28H31N3O6%2Fc1-18-24%2827%2832%2936-3%2926%2821-11-7-12-22%2815-21%2931%2834%2935%2925%2819%282%2929-18%2928%2833%2937-23-13-8-14-30%2817-23%2916-20-9-5-4-6-10-20%2Fh4-7%2C9-12%2C15%2C23%2C26%2C29H%2C8%2C13-14%2C16-17H2%2C1-3H3%2Ft23-%2C26-%2Fm1%2Fs1,68.0,4.0,11.0,-0.529500007629395,9.0,0.280370235443115,7.21400022506714,3.54999995231628,40.0,82.6865005493164 +InChI%3D1S%2FC40H52O2%2Fc1-29%2817-13-19-31%283%2921-23-35-33%285%2937%2841%2925-27-39%2835%2C7%298%2915-11-12-16-30%282%2918-14-20-32%284%2922-24-36-34%286%2938%2842%2926-28-40%2836%2C9%2910%2Fh11-24H%2C25-28H2%2C1-10H3%2Fb12-11-%2C17-13-%2C18-14-%2C23-21-%2C24-22-%2C29-15-%2C30-16%3F%2C31-19-%2C32-20%3F,94.0,22.0,26.0,8.9281997680664,10.0,79.7127532958984,10.7880001068115,5.6399998664856,43.0,193.526992797852 +InChI%3D1S%2FC20H31NO%2Fc22-20%2818-10-4-1-5-11-18%2C19-12-6-2-7-13-19%2914-17-21-15-8-3-9-16-21%2Fh1%2C4-5%2C10-11%2C19%2C22H%2C2-3%2C6-9%2C12-17H2,53.0,4.0,6.0,-2.5081000328064,5.0,6.29056549072266,5.96000003814697,3.44000005722046,24.0,53.9897994995117 +InChI%3D1S%2FC18H26ClN3O%2Fc1-3-22%2811-12-23%2910-4-5-14%282%2921-17-8-9-20-18-13-15%2819%296-7-16%2817%2918%2Fh6-9%2C13-14%2C23H%2C3-5%2C10-12H2%2C1-2H3%2C%28H%2C20%2C21%29,49.0,12.0,11.0,-0.310799986124039,9.0,0.0965966433286667,3.01600003242493,2.89000010490417,24.0,53.6250991821289 +InChI%3D1S%2FC15H14FN3O3%2Fc1-3-22-15%2821%2913-12-7-18%282%2914%2820%2910-6-9%2816%294-5-11%2810%2919%2812%298-17-13%2Fh4-6%2C8H%2C3%2C7H2%2C1-2H3,36.0,5.0,10.0,0.233600005507469,3.0,0.0545689612627029,1.82299995422363,2.33999991416931,24.0,37.9030990600586 +InChI%3D1S%2FC19H21N5O2%2Fc1-22-9-11-23%2812-10-22%2913-17%2825%2924-16-7-3-2-5-14%2816%2919%2826%2921-15-6-4-8-20-18%2815%2924%2Fh2-8H%2C9-13H2%2C1H3%2C%28H%2C21%2C26%29,47.0,3.0,18.0,-0.743099987506866,3.0,0.552197635173798,2.1489999294281,2.77999997138977,29.0,50.8213996887207 +InChI%3D1S%2FC18H24I3N3O8%2Fc1-24%284-9%2828%296-26%2918%2831%2912-13%2819%2911%2817%2830%2922-3-8%2827%295-25%2914%2820%2916%2815%2812%2921%2923-10%2829%297-32-2%2Fh8-9%2C25-28H%2C3-7H2%2C1-2H3%2C%28H%2C22%2C30%29%28H%2C23%2C29%29,56.0,9.0,15.0,1.19120001792908,12.0,1.41895747184753,-0.135000005364418,1.89999997615814,32.0,119.523597717285 +InChI%3D1S%2FC10H20O2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8%2C11-12H%2C4-7H2%2C1-3H3,32.0,3.0,0.0,0.544399976730347,1.0,0.29637137055397,1.57700002193451,2.33999991416931,12.0,47.5427017211914 +InChI%3D1S%2FC5H11NO2%2Fc1-6%282%2C3%294-5%287%298%2Fh4H2%2C1-3H3,19.0,8.0,3.0,-2.2564001083374,2.0,5.09134101867676,-1.22699999809265,1.67999994754791,7.0,26.593599319458 +InChI%3D1S%2FC10H22Cl2N2O4%2Fc11-1-3-13-5-7%2815%299%2817%2910%2818%298%2816%296-14-4-2-12%2Fh7-10%2C13-18H%2C1-6H2%2Ft7-%2C8-%2C9-%2C10-%2Fm1%2Fs1,40.0,18.0,0.0,-1.32539999485016,11.0,1.75668513774872,-1.72000002861023,1.67999994754791,17.0,69.9543991088867 +InChI%3D1S%2FC24H31N3O2S%2Fc1-2-22%2829%2919-8-9-24-21%2818-19%2927%2820-6-3-4-7-23%2820%2930-24%2911-5-10-25-12-14-26%2815-13-25%2916-17-28%2Fh3-4%2C6-9%2C18%2C28H%2C2%2C5%2C10-17H2%2C1H3,61.0,4.0,15.0,-0.202999994158745,8.0,0.0412090010941029,3.04999995231628,3.44000005722046,33.0,75.4552001953125 +InChI%3D1S%2FC11H12Cl2N2O%2Fc1-7%2811-14-5-6-15-11%2916-10-8%2812%293-2-4-9%2810%2913%2Fh2-4%2C7H%2C5-6H2%2C1H3%2C%28H%2C14%2C15%29,28.0,3.0,7.0,0.551100015640259,3.0,0.303711205720901,2.50200009346008,2.11999988555908,17.0,40.007999420166 +InChI%3D1S%2FC27H44O2%2Fc1-19-10-13-23%2828%2918-22%2819%2912-11-21-9-7-17-27%285%2924%2814-15-25%2821%2927%2920%282%298-6-16-26%283%2C4%2929%2Fh11-12%2C20%2C23-25%2C28-29H%2C1%2C6-10%2C13-18H2%2C2-5H3%2Fb21-11-%2C22-12%3F%2Ft20-%2C23%2B%2C24-%2C25%2B%2C27%3F%2Fm1%2Fs1,73.0,9.0,6.0,1.32780003547668,6.0,1.76305282115936,7.93100023269653,4.21000003814697,31.0,119.433296203613 +InChI%3D1S%2FC10H24N2O2%2Fc1-3-9%287-13%2911-5-6-12-10%284-2%298-14%2Fh9-14H%2C3-8H2%2C1-2H3%2Ft9-%2C10-%2Fm0%2Fs1,38.0,14.0,0.0,-2.28920006752014,9.0,5.24043655395508,-0.34400001168251,2.11999988555908,13.0,54.9944000244141 +InChI%3D1S%2FC20H14O3%2Fc21-18%289-10-19%2822%2923%2913-7-8-14-15-5-1-3-12-4-2-6-16%2820%2812%2915%2917%2814%2911-13%2Fh1-8%2C11H%2C9-10H2%2C%28H%2C22%2C23%29,37.0,7.0,18.0,-0.433999985456467,4.0,0.188355997204781,6.57499980926514,3.32999992370605,26.0,21.6637001037598 +InChI%3D1S%2FC12H18O2%2Fc1-2-3-4-5-6-10-7-8-11%2813%299-12%2810%2914%2Fh7-9%2C13-14H%2C2-6H2%2C1H3,32.0,6.0,8.0,-1.958899974823,5.0,3.83728909492493,3.82699990272522,2.55999994277954,14.0,27.5396995544434 +InChI%3D1S%2FC11H12N2O2S%2Fc1-7%2813%2815%2911%2812%2914%2910-6-8-4-2-3-5-9%288%2916-10%2Fh2-7%2C15H%2C1H3%2C%28H2%2C12%2C14%29,28.0,7.0,9.0,0.0566999986767769,3.0,0.00321488990448415,2.60199999809265,2.11999988555908,17.0,30.6322002410889 +InChI%3D1S%2FC8H10N6%2Fc9-11-7-5-3-1-2-4-6%285%298%2812-10%2914-13-7%2Fh1-4H%2C9-10H2%2C%28H%2C11%2C13%29%28H%2C12%2C14%29,24.0,2.0,14.0,-2.14420008659363,0.0,4.59759378433228,1.20000004768372,1.67999994754791,15.0,27.9654006958008 +InChI%3D1S%2FC5H5N5%2Fc6-4-3-5%289-1-7-3%2910-2-8-4%2Fh1-2H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29,14.0,0.0,9.0,-0.749899983406067,0.0,0.562350034713745,-0.551999986171722,1.46000003814697,11.0,4.22209978103638 +InChI%3D1S%2FC23H28N4O11S%2Fc1-11%2838-21%2831%2923%282%2C3%2933-4%2937-20%2830%2916-12%289-36-22%2824%2932%2910-39-19-15%2818%2829%2927%2816%2919%2925-17%2828%2914%2826-34-5%2913-7-6-8-35-13%2Fh6-8%2C11%2C15%2C19H%2C9-10H2%2C1-5H3%2C%28H2%2C24%2C32%29%28H%2C25%2C28%29%2Fb26-14-%2Ft11%3F%2C15-%2C19-%2Fm1%2Fs1,67.0,13.0,11.0,0.689000010490417,14.0,0.474721014499664,1.49500000476837,2.23000001907349,41.0,115.551002502441 +InChI%3D1S%2FC11H17N%2Fc1-11%282%2C12-3%299-10-7-5-4-6-8-10%2Fh4-8%2C12H%2C9H2%2C1-3H3,29.0,6.0,6.0,0.597199976444244,3.0,0.356647849082947,4.38899993896484,2.55999994277954,12.0,27.5193004608154 +InChI%3D1S%2FC42H69NO15%2Fc1-11-16-32%2848%2955-40-27%286%2953-34%2823-42%2840%2C7%2958-31%2847%2912-2%2956-37-26%285%2954-41%2836%2850%2935%2837%2943%288%299%2957-38-28%2819-20-44%2921-24%283%2929%2845%2918-15-13-14-17-25%284%2952-33%2849%2922-30%2846%2939%2838%2951-10%2Fh13-15%2C18%2C20%2C24-30%2C34-41%2C45-46%2C50H%2C11-12%2C16-17%2C19%2C21-23H2%2C1-10H3%2Fb14-13%2B%2C18-15-%2Ft24-%2C25-%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30-%2C34%2B%2C35-%2C36-%2C37-%2C38%3F%2C39%2B%2C40%2B%2C41%2B%2C42-%2Fm1%2Fs1,127.0,6.0,4.0,-1.53180003166199,15.0,2.34641122817993,2.69600009918213,4.32000017166138,60.0,207.519805908203 +InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29%2Ft12-%2Fm0%2Fs1,35.0,6.0,14.0,3.98160004615784,5.0,15.853138923645,2.84699988365173,2.11999988555908,25.0,79.5980987548828 +InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2915-9-7-5-4-6-8-12-16%282%2917-13-10-11-14-18%2817%2920%2Fh10-11%2C13-14%2C16H%2C3-9%2C12%2C15H2%2C1-2H3,51.0,15.0,6.0,0.377499997615814,12.0,0.142506256699562,8.2519998550415,3.22000002861023,22.0,65.2342987060547 +InChI%3D1S%2FC19H21ClN4O5%2Fc1-19%282%2C29-13-7-5-12%2820%296-8-13%2917%2826%2928-10-9-24-11-21-15-14%2824%2916%2825%2923%284%2918%2827%2922%2815%293%2Fh5-8%2C11H%2C9-10H2%2C1-4H3,50.0,9.0,7.0,0.583000004291534,7.0,0.339888989925385,1.95200002193451,2.45000004768372,31.0,65.8943023681641 +InChI%3D1S%2FC17H17N3O6S2%2Fc1-9%2821%2926-6-10-7-28-16-13%2815%2823%2920%2816%2914%2810%2917%2824%2925%2919-12%2822%298-27-11-2-4-18-5-3-11%2Fh2-5%2C13%2C16H%2C6-8H2%2C1H3%2C%28H%2C19%2C22%29%28H%2C24%2C25%29%2Ft13-%2C16-%2Fm1%2Fs1,45.0,5.0,8.0,-0.234300002455711,8.0,0.0548964887857437,-0.0790000036358833,2.11999988555908,30.0,79.3532028198242 +InChI%3D1S%2FC11H17NO3%2Fc1-7%2812%2911%2813%299-6-8%2814-2%294-5-10%289%2915-3%2Fh4-7%2C11%2C13H%2C12H2%2C1-3H3,32.0,5.0,8.0,-1.36329996585846,4.0,1.85858690738678,0.609000027179718,2.23000001907349,15.0,34.1128005981445 +InChI%3D1S%2FC18H19N3O%2Fc1-12-19-9-10-21%2812%2911-13-7-8-16-17%2818%2813%2922%2914-5-3-4-6-15%2814%2920%2816%292%2Fh3-6%2C9-10%2C13H%2C7-8%2C11H2%2C1-2H3,41.0,0.0,11.0,0.294299989938736,2.0,0.0866124927997589,2.92300009727478,3.0,25.0,39.9748001098633 +InChI%3D1S%2FC23H24N2O4S%2Fc1-2-3-6-21-24-14-19%2812-18%2823%2828%2929%2913-20-5-4-11-30-20%2925%2821%2915-16-7-9-17%2810-8-16%2922%2826%2927%2Fh4-5%2C7-12%2C14H%2C2-3%2C6%2C13%2C15H2%2C1H3%2C%28H%2C26%2C27%29%28H%2C28%2C29%29,54.0,6.0,10.0,-0.0834999978542328,10.0,0.00697225006297231,5.50899982452393,3.22000002861023,32.0,58.3288993835449 +InChI%3D1S%2FC19H23N3O4S%2Fc1-18%282%2913%2817%2825%2926%2921-15%2824%2912%2816%2821%2927-18%2922-14%2823%2911%2820-19%2822%2C3%294%2910-8-6-5-7-9-10%2Fh5-9%2C11-13%2C16%2C20H%2C1-4H3%2C%28H%2C25%2C26%29%2Ft11%3F%2C12-%2C13%2B%2C16-%2Fm1%2Fs1,50.0,2.0,6.0,-0.961600005626678,3.0,0.924674570560455,3.20600008964539,2.67000007629395,30.0,74.2077026367188 +InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3%2Ft15-%2Fm0%2Fs1,38.0,6.0,6.0,0.795899987220764,5.0,0.633456826210022,4.62599992752075,2.89000010490417,20.0,34.0872001647949 +InChI%3D1S%2FC21H18ClNO6%2Fc1-12-16%2810-20%2826%2929-11-19%2824%2925%2917-9-15%2828-2%297-8-18%2817%2923%2812%2921%2827%2913-3-5-14%2822%296-4-13%2Fh3-9H%2C10-11H2%2C1-2H3%2C%28H%2C24%2C25%29,47.0,8.0,18.0,-0.000699999975040555,8.0,4.8999999080479e-07,3.46099996566772,2.89000010490417,31.0,48.7276000976562 +InChI%3D1S%2FC33H47NO13%2Fc1-18-10-8-6-4-3-5-7-9-11-21%2845-32-30%2839%2928%2834%2929%2838%2919%282%2944-32%2915-25-27%2831%2840%2941%2922%2836%2917-33%2842%2C47-25%2916-20%2835%2914-24-23%2846-24%2912-13-26%2837%2943-18%2Fh3-9%2C11-13%2C18-25%2C27-30%2C32%2C35-36%2C38-39%2C42H%2C10%2C14-17%2C34H2%2C1-2H3%2C%28H%2C40%2C41%29%2Fb4-3-%2C7-5-%2C8-6%2B%2C11-9-%2C13-12%2B%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25%3F%2C27-%2C28%2B%2C29-%2C30%2B%2C32%3F%2C33-%2Fm1%2Fs1,94.0,2.0,8.0,-3.10710000991821,3.0,9.654070854187,1.08200001716614,3.54999995231628,50.0,162.922607421875 +InChI%3D1S%2FC30H30O8%2Fc1-11%282%2919-15-7-13%285%2921%2827%2835%2923%2815%2917%289-31%2925%2833%2929%2819%2937%2922-14%286%298-16-20%2812%283%294%2930%2838%2926%2834%2918%2810-32%2924%2816%2928%2822%2936%2Fh7-12%2C33-38H%2C1-6H3,68.0,2.0,30.0,-0.716799974441528,5.0,0.513802230358124,5.51000022888184,3.88000011444092,41.0,67.5151977539062 +InChI%3D1S%2FC3H7NO2S%2Fc4-2%281-7%293%285%296%2Fh2%2C7H%2C1%2C4H2%2C%28H%2C5%2C6%29%2Ft2-%2Fm0%2Fs1,14.0,7.0,3.0,-0.624199986457825,2.0,0.389625638723373,-2.57500004768372,1.35000002384186,6.0,28.1679992675781 +InChI%3D1S%2FC29H53NO5%2Fc1-5-7-9-11-12-13-14-15-16-18-24%2834-29%2833%2926%2830-22-31%2920-23%283%294%2921-27-25%2828%2832%2935-27%2919-17-10-8-6-2%2Fh22-27H%2C5-21H2%2C1-4H3%2C%28H%2C30%2C31%29%2Ft24-%2C25-%2C26%3F%2C27-%2Fm0%2Fs1,88.0,24.0,3.0,-3.8685998916626,23.0,14.9660663604736,10.4409999847412,3.99000000953674,35.0,114.795196533203 +InChI%3D1S%2FC13H13N5O5S2%2Fc1-23-17-7%285-4-25-13%2814%2915-5%299%2819%2916-8-10%2820%2918-6%2812%2821%2922%292-3-24-11%288%2918%2Fh2%2C4%2C8%2C11H%2C3H2%2C1H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%2Fb17-7%2B%2Ft8-%2C11-%2Fm1%2Fs1,40.0,7.0,8.0,-0.0284000001847744,5.0,0.000806559983175248,0.508000016212463,1.57000005245209,27.0,90.2366027832031 +InChI%3D1S%2FC25H29I2NO3%2Fc1-4-7-11-22-23%2818-10-8-9-12-21%2818%2931-22%2924%2829%2917-15-19%2826%2925%2820%2827%2916-17%2930-14-13-28%285-2%296-3%2Fh8-10%2C12%2C15-16H%2C4-7%2C11%2C13-14H2%2C1-3H3,60.0,8.0,9.0,2.74090003967285,11.0,7.51253271102905,7.77699995040894,3.54999995231628,33.0,84.9536972045898 +InChI%3D1S%2FC16H14O3%2Fc17-15%2810-11-16%2818%2919%2914-8-6-13%287-9-14%2912-4-2-1-3-5-12%2Fh1-9H%2C10-11H2%2C%28H%2C18%2C19%29,33.0,7.0,14.0,-0.433999985456467,5.0,0.188355997204781,5.5310001373291,2.89000010490417,20.0,21.6637001037598 +InChI%3D1S%2FC9H13N3O%2Fc1-7%282%2911-12-9%2813%298-3-5-10-6-4-8%2Fh3-7%2C11H%2C1-2H3%2C%28H%2C12%2C13%29,26.0,7.0,10.0,-1.00300002098083,4.0,1.00600898265839,1.68599998950958,2.00999999046326,13.0,25.9368000030518 +InChI%3D1S%2FC23H29ClO4%2Fc1-13%2825%2923%2828-14%282%2926%2910-7-18-16-12-20%2824%2919-11-15%2827%295-8-21%2819%2C3%2917%2816%296-9-22%2818%2C23%294%2Fh11-12%2C16-18H%2C5-10H2%2C1-4H3%2Ft16%3F%2C17-%2C18-%2C21%2B%2C22-%2C23-%2Fm0%2Fs1,57.0,4.0,6.0,1.4860999584198,3.0,2.20849323272705,3.39000010490417,3.44000005722046,31.0,108.792999267578 +InChI%3D1S%2FC49H76O19%2Fc1-22-43%2866-38-18-33%2853%2944%2823%282%2961-38%2967-39-19-34%2863-25%284%2951%2945%2824%283%2962-39%2968-46-42%2857%2941%2856%2940%2855%2935%2820-50%2965-46%2932%2852%2917-37%2860-22%2964-28-9-12-47%285%2927%2816-28%297-8-31-30%2847%2910-13-48%286%2929%2811-14-49%2831%2C48%2958%2926-15-36%2854%2959-21-26%2Fh15%2C22-24%2C27-35%2C37-46%2C50%2C52-53%2C55-58H%2C7-14%2C16-21H2%2C1-6H3%2Ft22-%2C23-%2C24-%2C27-%2C28%3F%2C29-%2C30%3F%2C31-%2C32%2B%2C33%2B%2C34%2B%2C35-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43-%2C44-%2C45-%2C46%2B%2C47%3F%2C48-%2C49%3F%2Fm1%2Fs1,144.0,4.0,5.0,-4.47289991378784,12.0,20.0068340301514,2.61800003051758,4.76000022888184,76.0,224.931701660156 +InChI%3D1S%2FC18H21NO4%2Fc1-19-8-7-17-14-10-3-4-12%2822-2%2915%2814%2923-16%2817%2911%2820%295-6-18%2817%2C21%2913%2819%299-10%2Fh3-4%2C13%2C16%2C21H%2C5-9H2%2C1-2H3%2Ft13-%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1,44.0,2.0,8.0,-1.0566999912262,1.0,1.11661493778229,0.515999972820282,2.89000010490417,27.0,60.1147994995117 +InChI%3D1S%2FC10H12ClNO4%2Fc11-7-1-3-9%284-2-7%2915-5-8%2813%296-16-10%2812%2914%2Fh1-4%2C8%2C13H%2C5-6H2%2C%28H2%2C12%2C14%29,28.0,9.0,7.0,0.571900010108948,6.0,0.327069610357285,2.06299996376038,1.89999997615814,16.0,32.4492988586426 +InChI%3D1S%2FC11H16N2O3%2Fc1-4-5-11%286-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,32.0,4.0,8.0,0.492300003767014,4.0,0.242359295487404,2.70300006866455,2.11999988555908,16.0,58.0401000976562 +InChI%3D1S%2FC17H22NO%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%2Fh3-12H%2C13-15H2%2C1-2H3%2Fq%2B1,41.0,7.0,7.0,-1.35860002040863,6.0,1.84579396247864,5.13299989700317,3.10999989509583,20.0,27.1490993499756 +InChI%3D1S%2FC29H32O13%2Fc1-11-36-9-20-27%2840-11%2924%2831%2925%2832%2929%2841-20%2942-26-14-7-17-16%2838-10-39-17%296-13%2814%2921%2822-15%2826%298-37-28%2822%2933%2912-4-18%2834-2%2923%2830%2919%285-12%2935-3%2Fh4-7%2C11%2C15%2C20-22%2C24-27%2C29-32H%2C8-10H2%2C1-3H3%2Ft11-%2C15%3F%2C20%3F%2C21%3F%2C22%2B%2C24-%2C25-%2C26%3F%2C27-%2C29%3F%2Fm1%2Fs1,74.0,2.0,9.0,-2.57030010223389,5.0,6.60644197463989,0.199000000953674,3.22000002861023,48.0,90.7614974975586 +InChI%3D1S%2FC17H20N2O5S%2Fc1-9%2824-10-7-5-4-6-8-10%2913%2820%2918-11-14%2821%2919-12%2816%2822%2923%2917%282%2C3%2925-15%2811%2919%2Fh4-9%2C11-12%2C15H%2C1-3H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9%3F%2C11-%2C12%2B%2C15-%2Fm1%2Fs1,45.0,6.0,7.0,-0.21340000629425,5.0,0.0455395616590977,2.26500010490417,2.45000004768372,27.0,65.3623962402344 +InChI%3D1S%2FC30H24N4O10%2Fc35-26%2819-5-1-9-31-13-19%2940-17-23-24%2842-28%2837%2921-7-3-11-33-15-21%2925%2843-29%2838%2922-8-4-12-34-16-22%2930%2839%2C44-23%2918-41-27%2836%2920-6-2-10-32-14-20%2Fh1-16%2C23-25%2C39H%2C17-18H2%2Ft23%3F%2C24-%2C25%2B%2C30-%2Fm1%2Fs1,68.0,4.0,9.0,-1.0867999792099,14.0,1.18113422393799,2.37199997901917,3.22000002861023,48.0,51.2691993713379 +InChI%3D1S%2FC10H22N4%2Fc11-10%2812%2913-6-9-14-7-4-2-1-3-5-8-14%2Fh1-9H2%2C%28H4%2C11%2C12%2C13%29,36.0,6.0,4.0,-1.84990000724792,4.0,3.42213010787964,1.46099996566772,2.11999988555908,14.0,47.5045013427734 +InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,5.0,4.0,0.0,2.228600025177,0.0,4.96665811538696,3.08800005912781,1.24000000953674,3.0,29.7896995544434 +InChI%3D1S%2FC18H25NO%2Fc1-19-10-9-18-8-4-3-5-15%2818%2917%2819%2911-13-6-7-14%2820-2%2912-16%2813%2918%2Fh6-7%2C12%2C15%2C17H%2C3-5%2C8-11H2%2C1-2H3%2Ft15-%2C17%3F%2C18%3F%2Fm0%2Fs1,45.0,2.0,7.0,-0.591000020503998,1.0,0.349281013011932,4.20699977874756,3.22000002861023,23.0,53.9015007019043 +InChI%3D1S%2FC27H20N4O9S2.2Na%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%3B%3B%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb30-28-%2C31-29-%3B%3B,62.0,3.0,40.0,,7.0,,5.38899993896484,2.55999994277954,46.0, +InChI%3D1S%2FC15H21N3O%2Fc1-11%285-3-7-16%2918-14-10-13%2819-2%299-12-6-4-8-17-15%2812%2914%2Fh4%2C6%2C8-11%2C18H%2C3%2C5%2C7%2C16H2%2C1-2H3,40.0,7.0,12.0,-1.78559994697571,6.0,3.18836736679077,2.13299989700317,2.67000007629395,20.0,34.6698989868164 +InChI%3D1S%2FC16H17N9O5S3%2Fc1-24-16%2820-22-23-24%2933-4-6-3-31-13-9%2812%2827%2925%2813%2910%286%2914%2828%2929%2919-11%2826%298%2821-30-2%297-5-32-15%2817%2918-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C26%29%28H%2C28%2C29%29%2Fb21-8%2B%2Ft9-%2C13-%2Fm1%2Fs1,52.0,7.0,8.0,0.493699997663498,8.0,0.243739694356918,0.0729999989271164,1.35000002384186,36.0,110.116897583008 +InChI%3D1S%2FC23H46N6O13%2Fc24-2-7-13%2832%2915%2834%2910%2828%2921%2837-7%2940-18-6%2827%291-5%2826%2912%2831%2920%2818%2942-23-17%2836%2919%289%284-30%2939-23%2941-22-11%2829%2916%2835%2914%2833%298%283-25%2938-22%2Fh5-23%2C30-36H%2C1-4%2C24-29H2%2Ft5-%2C6%2B%2C7-%2C8%2B%2C9-%2C10-%2C11%3F%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21%3F%2C22-%2C23%2B%2Fm1%2Fs1,88.0,2.0,0.0,-9.30910015106201,9.0,86.6593399047852,-6.91400003433228,1.89999997615814,45.0,133.946502685547 +InChI%3D1S%2FC22H22N6O7S2%2Fc1-22%282%2C20%2833%2934%2935-26-13%2812-10-37-21%2823%2924-12%2916%2829%2925-14-17%2830%2928-15%2819%2831%2932%2911%289-36-18%2814%2928%298-27-6-4-3-5-7-27%2Fh3-7%2C10%2C14%2C18H%2C8-9H2%2C1-2H3%2C%28H4-%2C23%2C24%2C25%2C29%2C31%2C32%2C33%2C34%29%2Ft14-%2C18-%2Fm1%2Fs1,62.0,12.0,8.0,-2.08209991455078,9.0,4.33514022827148,0.726000010967255,2.23000001907349,40.0,106.741500854492 +InChI%3D1S%2FC6H12N4O9%2Fc11-8%2812%2917-4-1-7%282-5-18-9%2813%2914%293-6-19-10%2815%2916%2Fh1-6H2,31.0,19.0,4.0,0.0401999987661839,12.0,0.00161604001186788,0.791999995708466,0.689999997615814,18.0,43.8791999816895 +InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29%2Fb12-11%2B%2Ft18-%2C19-%2Fm1%2Fs1,56.0,11.0,17.0,-0.501500010490417,8.0,0.251502245664597,4.95800018310547,3.44000005722046,32.0,55.8894996643066 +InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,33.0,4.0,17.0,-0.807399988174438,3.0,0.651894748210907,1.73399996757507,2.00999999046326,20.0,26.8286991119385 +InChI%3D1S%2FC20H33N3O4%2Fc1-7-23%288-2%2919%2826%2922-15-9-10-18%2817%2811-15%2914%283%2924%2927-13-16%2825%2912-21-20%284%2C5%296%2Fh9-11%2C16%2C21%2C25H%2C7-8%2C12-13H2%2C1-6H3%2C%28H%2C22%2C26%29,60.0,10.0,13.0,0.348600000143051,11.0,0.121521957218647,3.24000000953674,2.89000010490417,27.0,81.535400390625 +InChI%3D1S%2FC21H26NO3.BrH%2Fc1-22%282%2915-9-14-19%2816-22%2925-20%2823%2921%2824%2C17-10-5-3-6-11-17%2918-12-7-4-8-13-18%3B%2Fh3-8%2C10-13%2C19%2C24H%2C9%2C14-16H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1,52.0,5.0,6.0,,5.0,,5.86499977111816,3.22000002861023,27.0, +InChI%3D1S%2FC19H18ClFN2O3%2Fc20-13-5-6-17-15%2811-13%2919%2814-3-1-2-4-16%2814%2921%2922%288-10-26-19%2912-18%2825%2923%2817%297-9-24%2Fh1-6%2C11%2C24H%2C7-10%2C12H2,44.0,3.0,9.0,-0.147400006651878,3.0,0.0217267591506243,2.78800010681152,2.77999997138977,29.0,46.7226982116699 +InChI%3D1S%2FC21H32N6O3%2Fc1-4-19%2828%2927%2818-9-7-6-8-10-18%2921%2817-30-3%2911-13-24%2814-12-21%2915-16-26-20%2829%2925%285-2%2922-23-26%2Fh6-10H%2C4-5%2C11-17H2%2C1-3H3,64.0,5.0,9.0,-2.50600004196167,10.0,6.28003597259521,3.53099989891052,2.77999997138977,32.0,86.323501586914 +InChI%3D1S%2FC10H12N2%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29,24.0,0.0,6.0,-0.642799973487854,2.0,0.413191825151443,3.13000011444092,2.33999991416931,13.0,22.4853992462158 +InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29,40.0,10.0,7.0,1.59029996395111,6.0,2.52905416488647,3.74799990653992,2.77999997138977,18.0,45.9565010070801 +InChI%3D1S%2FC22H26F3N3OS%2Fc23-22%2824%2C25%2917-6-7-21-19%2816-17%2928%2818-4-1-2-5-20%2818%2930-21%299-3-8-26-10-12-27%2813-11-26%2914-15-29%2Fh1-2%2C4-7%2C16%2C29H%2C3%2C8-15H2,56.0,3.0,13.0,1.07280004024506,7.0,1.15089988708496,4.40899991989136,3.0,33.0,66.0959014892578 +InChI%3D1S%2FC18H31NO4%2Fc1-14%282%2919-11-17%2820%2913-23-18-7-5-16%286-8-18%2912-21-9-10-22-15%283%294%2Fh5-8%2C14-15%2C17%2C19-20H%2C9-13H2%2C1-4H3,54.0,9.0,7.0,-1.23099994659424,12.0,1.51536095142365,2.36899995803833,2.89000010490417,23.0,68.071403503418 +InChI%3D1S%2FC22H32N2O5%2Fc1-6-23%287-2%2922%2826%2917-13-24-9-8-15-10-20%2827-4%2921%2828-5%2911-16%2815%2918%2824%2912-19%2817%2929-14%283%2925%2Fh10-11%2C17-19H%2C6-9%2C12-13H2%2C1-5H3,61.0,7.0,8.0,-0.355699986219406,8.0,0.126522496342659,1.72800004482269,3.10999989509583,31.0,83.8733978271484 +InChI%3D1S%2FC19H24N2O4%2Fc1-13%289-14-3-6-16%2825-2%297-4-14%2920-11-19%2824%2915-5-8-18%2823%2917%2810-15%2921-12-22%2Fh3-8%2C10%2C12-13%2C19-20%2C23-24H%2C9%2C11H2%2C1-2H3%2C%28H%2C21%2C22%29%2Ft13-%2C19%2B%2Fm1%2Fs1,49.0,7.0,10.0,-1.5188000202179,8.0,2.30675339698792,2.71000003814697,2.89000010490417,26.0,47.8459014892578 +InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-,22.0,5.0,3.0,-0.520699977874756,3.0,0.271128475666046,-1.77999997138977,1.35000002384186,13.0,26.0491008758545 +InChI%3D1S%2FC13H20N6O4%2Fc1-7%282%298%2814%2912%2821%2923-4-3-22-6-19-5-16-9-10%2819%2917-13%2815%2918-11%289%2920%2Fh5%2C7-8H%2C3-4%2C6%2C14H2%2C1-2H3%2C%28H3%2C15%2C17%2C18%2C20%29%2Ft8-%2Fm0%2Fs1,45.0,12.0,4.0,-1.33500003814697,8.0,1.78222501277924,-0.170000001788139,1.78999996185303,24.0,63.2215995788574 +InChI%3D1S%2FC3H9O6P%2Fc4-1-3%282-5%299-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29,19.0,10.0,5.0,-1.34389996528625,4.0,1.80606722831726,-3.10899996757507,1.01999998092651,9.0,30.8153991699219 +InChI%3D1S%2FC18H21NO%2Fc20-18%2815-9-3-1-4-10-15%2C16-11-5-2-6-12-16%2917-13-7-8-14-19-17%2Fh1-6%2C9-12%2C17%2C19-20H%2C7-8%2C13-14H2,41.0,2.0,6.0,-2.06839990615845,3.0,4.27827835083008,5.86299991607666,3.22000002861023,22.0,25.0125007629395 +InChI%3D1S%2FC18H26O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh10%2C13-17%2C20H%2C2-9H2%2C1H3%2Ft13%3F%2C14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1,46.0,0.0,4.0,-0.123599998652935,0.0,0.0152769600972533,3.22300004959106,3.22000002861023,23.0,76.2046966552734 +InChI%3D1S%2FC28H38O3%2Fc1-26-11-14-28%2815-12-26%2C16-13-26%2925%2830%2931-24-8-7-23-22-5-3-18-17-19%2829%294-6-20%2818%2921%2822%299-10-27%2823%2C24%292%2Fh11%2C14%2C17%2C20-24H%2C3-10%2C12-13%2C15-16H2%2C1-2H3%2Ft20-%2C21%2B%2C22%3F%2C23-%2C24-%2C26%3F%2C27-%2C28%3F%2Fm0%2Fs1,69.0,3.0,4.0,0.865400016307831,3.0,0.748917162418365,6.75600004196167,4.21000003814697,36.0,120.455101013184 +InChI%3D1S%2FC11H12Cl2N2O5%2Fc12-10%2813%2911%2818%2914-8%285-16%299%2817%296-1-3-7%284-2-6%2915%2819%2920%2Fh1-4%2C8-10%2C16-17H%2C5H2%2C%28H%2C14%2C18%29%2Ft8-%2C9-%2Fm1%2Fs1,32.0,11.0,9.0,-0.045099999755621,6.0,0.00203400989994407,1.66299998760223,1.67999994754791,20.0,43.3061981201172 +InChI%3D1S%2FC17H20N2O2S%2Fc1-2-21-17%2820%2915-13-8-9-19%2811-14%2813%2922-16%2815%2918%2910-12-6-4-3-5-7-12%2Fh3-7H%2C2%2C8-11%2C18H2%2C1H3,42.0,5.0,9.0,0.405900001525879,5.0,0.164754807949066,3.78600001335144,2.77999997138977,24.0,49.7841987609863 +InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29,31.0,0.0,17.0,0.234400004148483,1.0,0.054943360388279,4.36499977111816,2.55999994277954,22.0,26.4554996490479 +InChI%3D1S%2FC10H12N4O3%2Fc15-3-6-1-2-7%2817-6%2914-5-13-8-9%2814%2911-4-12-10%288%2916%2Fh4-7%2C15H%2C1-3H2%2C%28H%2C11%2C12%2C16%29%2Ft6-%2C7%2B%2Fm0%2Fs1,29.0,2.0,9.0,-1.54410004615784,2.0,2.38424491882324,-0.540000021457672,1.78999996185303,19.0,26.7570991516113 +InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29,31.0,2.0,9.0,0.168699994683266,2.0,0.0284596905112267,1.13199996948242,2.23000001907349,18.0,39.5200996398926 +InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6-,24.0,12.0,0.0,-0.241999998688698,5.0,0.0585639998316765,-0.272000014781952,1.46000003814697,11.0,50.472599029541 +InChI%3D1S%2FC5H9NO4%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%2Ft3-%2Fm0%2Fs1,19.0,10.0,3.0,-1.63979995250702,4.0,2.68894410133362,-3.34899997711182,1.46000003814697,9.0,29.444299697876 +InChI%3D1S%2FC20H31NO3%2Fc1-3-21%284-2%2914-15-23-16-17-24-19%2822%2920%2812-8-9-13-20%2918-10-6-5-7-11-18%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-17H2%2C1-2H3,55.0,13.0,6.0,-0.30120000243187,11.0,0.0907214432954788,5.2020001411438,3.22000002861023,25.0,67.813102722168 +InChI%3D1S%2FC8H8O3%2Fc9-7%288%2810%2911%296-4-2-1-3-5-6%2Fh1-5%2C7%2C9H%2C%28H%2C10%2C11%29,19.0,5.0,6.0,-0.857200026512146,2.0,0.734791815280914,1.89400005340576,2.00999999046326,11.0,13.1066999435425 +InChI%3D1S%2FC19H20N8O5%2Fc20-15-14-16%2827-19%2821%2926-15%2923-8-11%2824-14%297-22-10-3-1-9%282-4-10%2917%2830%2925-12%2818%2831%2932%295-6-13%2828%2929%2Fh1-4%2C8%2C12%2C22H%2C5-7H2%2C%28H%2C25%2C30%29%28H%2C28%2C29%29%28H%2C31%2C32%29%28H4%2C20%2C21%2C23%2C26%2C27%29,54.0,12.0,10.0,-3.02069997787476,10.0,9.1246280670166,-2.15400004386902,2.11999988555908,34.0,59.2751998901367 +InChI%3D1S%2FC9H12N4O3%2Fc1-11-7-6%288%2815%2912%282%299%2811%2916%2913%283-4-14%295-10-7%2Fh5%2C14H%2C3-4H2%2C1-2H3,28.0,3.0,6.0,-0.970499992370605,2.0,0.941870272159576,-1.33399999141693,1.67999994754791,17.0,41.1645011901855 +InChI%3D1S%2FC13H18ClNO%2Fc1-9%2815-13%282%2C3%294%2912%2816%2910-6-5-7-11%2814%298-10%2Fh5-9%2C15H%2C1-4H3,34.0,9.0,8.0,0.987900018692017,4.0,0.975946426391602,3.50600004196167,2.55999994277954,16.0,42.9836006164551 +InChI%3D1S%2FC10H15NO2%2Fc1-2-11-7-10%2813%298-4-3-5-9%2812%296-8%2Fh3-6%2C10-13H%2C2%2C7H2%2C1H3,28.0,6.0,7.0,-1.02709996700287,4.0,1.05493438243866,0.887000024318695,2.23000001907349,13.0,26.5298004150391 +InChI%3D1S%2FC17H22I3N3O8%2Fc1-6%2828%2915%2829%2923-14-12%2819%299%2816%2830%2921-7%282-24%293-25%2911%2818%2910%2813%2814%2920%2917%2831%2922-8%284-26%295-27%2Fh6-8%2C24-28H%2C2-5H2%2C1H3%2C%28H%2C21%2C30%29%28H%2C22%2C31%29%28H%2C23%2C29%29%2Ft6-%2Fm0%2Fs1,53.0,8.0,15.0,1.32959997653961,10.0,1.76783621311188,0.280000001192093,1.78999996185303,31.0,114.77010345459 +InChI%3D1S%2FC18H36N4O11%2Fc19-2-6-10%2825%2912%2827%2913%2828%2918%2830-6%2933-16-5%2821%291-4%2820%2915%2814%2816%2929%2932-17-11%2826%298%2822%299%2824%297%283-23%2931-17%2Fh4-18%2C23-29H%2C1-3%2C19-22H2%2Ft4-%2C5%2B%2C6-%2C7-%2C8%2B%2C9-%2C10-%2C11-%2C12%2B%2C13%3F%2C14-%2C15%2B%2C16%3F%2C17%3F%2C18-%2Fm1%2Fs1,69.0,2.0,0.0,-7.49370002746582,6.0,56.1555404663086,-5.48600006103516,1.78999996185303,35.0,104.180702209473 +InChI%3D1S%2FC15H17FN4O3%2Fc1-2-19-8-10%2815%2822%2923%2912%2821%299-7-11%2816%2914%2818-13%289%2919%2920-5-3-17-4-6-20%2Fh7-8%2C17H%2C2-6H2%2C1H3%2C%28H%2C22%2C23%29,42.0,2.0,10.0,-0.151899993419647,3.0,0.0230736099183559,0.0970000028610229,2.23000001907349,25.0,59.706901550293 +InChI%3D1S%2FC10H16N2O3S%2Fc13-8%2814%294-2-1-3-7-9-6%285-16-7%2911-10%2815%2912-9%2Fh6-7%2C9H%2C1-5H2%2C%28H%2C13%2C14%29%28H2%2C11%2C12%2C15%29%2Ft6-%2C7-%2C9%3F%2Fm0%2Fs1,32.0,7.0,4.0,-0.80460000038147,5.0,0.647381186485291,1.20899999141693,1.89999997615814,17.0,54.086799621582 +InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3%2Ft36-%2C37-%2C38%2B%2C39%2B%2C42%2B%2Fm1%2Fs1,102.0,7.0,9.0,3.43449997901917,18.0,11.7957906723022,12.5939998626709,4.98000001907349,57.0,135.104705810547 +InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-3-5-9%2811%296-4-8%2Fh3-6H%2C7%2C12H2%2C1-2H3,26.0,5.0,6.0,0.909699976444244,2.0,0.827554106712341,3.03999996185303,2.33999991416931,12.0,28.3603000640869 +InChI%3D1S%2FC16H12FN3O3%2Fc1-19-14-7-6-10%2820%2822%2923%298-12%2814%2916%2818-9-15%2819%2921%2911-4-2-3-5-13%2811%2917%2Fh2-8H%2C9H2%2C1H3,35.0,2.0,20.0,-0.406800001859665,2.0,0.165486246347427,3.1800000667572,2.45000004768372,25.0,28.0615997314453 +InChI%3D1S%2FC20H20N2O2%2Fc1-15%282%2913-14-18-19%2823%2921%2816-9-5-3-6-10-16%2922%2820%2818%2924%2917-11-7-4-8-12-17%2Fh3-13%2C18H%2C14H2%2C1-2H3,44.0,5.0,18.0,0.204300001263618,4.0,0.0417384915053844,5.31500005722046,3.22000002861023,26.0,43.4726982116699 +InChI%3D1S%2FC18H34O2.C2H7NO%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%3B3-1-2-4%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%3B4H%2C1-3H2%2Fb10-9-%3B,65.0,20.0,3.0,-3.52970004081726,16.0,12.4587821960449,6.91699981689453,3.22000002861023,22.0,85.1280975341797 +InChI%3D1S%2FC4H6O4S2%2Fc5-3%286%291%289%292%2810%294%287%298%2Fh1-2%2C9-10H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,16.0,10.0,3.0,0.228200003504753,3.0,0.0520752407610416,-0.342000007629395,1.24000000953674,9.0,38.467399597168 +InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3,19.0,8.0,0.0,1.65050005912781,4.0,2.72415018081665,1.59300005435944,1.67999994754791,7.0,38.6747016906738 +InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,31.0,11.0,6.0,0.655499994754791,7.0,0.42968025803566,4.34600019454956,2.00999999046326,17.0,31.8826007843018 +InChI%3D1S%2FC10H16N5O13P3%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2826-10%291-25-30%2821%2C22%2928-31%2823%2C24%2927-29%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H%2C21%2C22%29%28H%2C23%2C24%29%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7-%2C10-%2Fm1%2Fs1,47.0,14.0,13.0,-2.77449989318848,8.0,7.69785022735596,-5.92500019073486,0.25,33.0,65.9878997802734 +InChI%3D1S%2FC40H56%2Fc1-31%2819-13-21-33%283%2925-27-37-35%285%2923-15-29-39%2837%2C7%298%2917-11-12-18-32%282%2920-14-22-34%284%2926-28-38-36%286%2924-16-30-40%2838%2C9%2910%2Fh11-14%2C17-22%2C25-28H%2C15-16%2C23-24%2C29-30H2%2C1-10H3%2Fb12-11-%2C19-13-%2C20-14-%2C27-25-%2C28-26-%2C31-17-%2C32-18%3F%2C33-21-%2C34-22%3F,96.0,22.0,22.0,8.9350004196167,10.0,79.834228515625,14.7340002059937,5.8600001335144,41.0,189.290603637695 +InChI%3D1S%2FC32H38N2O8%2Fc1-37-24-12-17%2813-25%2838-2%2929%2824%2939-3%2931%2835%2942-26-14-18-16-34-11-10-20-19-8-6-7-9-22%2819%2933-28%2820%2923%2834%2915-21%2818%2927%2830%2826%2940-4%2932%2836%2941-5%2Fh6-9%2C12-13%2C18%2C21%2C23%2C26-27%2C30%2C33H%2C10-11%2C14-16H2%2C1-5H3%2Ft18-%2C21%2B%2C23-%2C26%3F%2C27%2B%2C30%2B%2Fm1%2Fs1,79.0,4.0,12.0,-0.391999989748001,9.0,0.153663992881775,3.54999995231628,3.88000011444092,47.0,92.6419982910156 +InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,12.0,0.0,7.0,0.0507000014185905,0.0,0.00257048988714814,0.428999990224838,1.46000003814697,8.0,11.256199836731 +InChI%3D1S%2FC11H16ClN3O4S2%2Fc1-6%282%293-11-14-8-4-7%2812%299%2820%2813%2C16%2917%295-10%288%2921%2818%2C19%2915-11%2Fh4-6%2C11%2C14-15H%2C3H2%2C1-2H3%2C%28H2%2C13%2C16%2C17%29,37.0,4.0,15.0,-1.13199996948242,3.0,1.28142404556274,0.632000029087067,1.57000005245209,22.0,51.5556983947754 +InChI%3D1S%2FC11H9I3N2O4%2Fc1-3%2817%2916-9-7%2813%294%2810%2818%2915-2%296%2812%295%288%289%2914%2911%2819%2920%2Fh1-2H3%2C%28H%2C15%2C18%29%28H%2C16%2C17%29%28H%2C19%2C20%29,29.0,4.0,15.0,3.63319993019104,3.0,13.2001419067383,3.37899994850159,1.67999994754791,20.0,76.8516006469727 +InChI%3D1S%2FC35H36ClNO3S%2Fc1-34%282%2C40%2930-9-4-3-7-25%2830%2913-17-32%2841-23-35%2818-19-35%2922-33%2838%2939%2927-8-5-6-24%2820-27%2910-15-29-16-12-26-11-14-28%2836%2921-31%2826%2937-29%2Fh3-12%2C14-16%2C20-21%2C32%2C40H%2C13%2C17-19%2C22-23H2%2C1-2H3%2C%28H%2C38%2C39%29%2Fb15-10-%2Ft32-%2Fm1%2Fs1,77.0,5.0,18.0,1.22210001945496,12.0,1.49352836608887,11.0950002670288,4.65000009536743,45.0,80.0671997070312 +InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2833%2934-27%2822%2832%2915-29%2916%282%2912-20-19-9-8-17-13-18%2830%2910-11-24%2817%2C3%2926%2819%2C28%2921%2831%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C29%2C31H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19-%2C20-%2C21-%2C24-%2C25-%2C26%3F%2C27-%2Fm0%2Fs1,71.0,7.0,6.0,-1.06470000743866,7.0,1.1335860490799,2.83999991416931,3.66000008583069,37.0,121.293502807617 +InChI%3D1S%2FC23H36O7%2Fc1-4-13%282%2923%2829%2930-20-11-17%2825%299-15-6-5-14%283%2919%2822%2815%2920%298-7-16%2824%2910-18%2826%2912-21%2827%2928%2Fh5-6%2C9%2C13-14%2C16-20%2C22%2C24-26H%2C4%2C7-8%2C10-12H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft13-%2C14-%2C16%2B%2C17%2B%2C18%2B%2C19-%2C20-%2C22-%2Fm0%2Fs1,66.0,11.0,4.0,-1.89590001106262,11.0,3.59443688392639,2.27500009536743,3.22000002861023,31.0,105.024696350098 +InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29,30.0,2.0,6.0,-1.25660002231598,2.0,1.57904350757599,3.51799988746643,2.33999991416931,17.0,32.5567016601562 +InChI%3D1S%2FC20H25NO2%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3,48.0,11.0,6.0,0.505999982357025,9.0,0.256036013364792,7.30000019073486,3.32999992370605,24.0,42.2167015075684 +InChI%3D1S%2FC29H55N5O18%2Fc30-3-11-23%2851-28-20%2843%2919%2842%2917%2840%2913%285-36%2947-28%2918%2841%2915%2834%2927%2845-11%2950-24-14%286-37%2948-29%2821%2824%2944%2952-25-16%2839%297%2831%291-8%2832%2922%2825%2949-26-9%2833%292-10%2838%2912%284-35%2946-26%2Fh7-29%2C35-44H%2C1-6%2C30-34H2%2Ft7%3F%2C8%3F%2C9-%2C10%2B%2C11%3F%2C12%2B%2C13%2B%2C14%2B%2C15%3F%2C16-%2C17%2B%2C18%2B%2C19-%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29%3F%2Fm1%2Fs1,107.0,2.0,0.0,-10.5437002182007,12.0,111.169609069824,-8.64099979400635,2.11999988555908,56.0,161.651397705078 +InChI%3D1S%2FC6H6Cl2N2O4S2%2Fc7-4-1-3%2815%289%2C11%2912%292-5%286%284%298%2916%2810%2C13%2914%2Fh1-2H%2C%28H2%2C9%2C11%2C12%29%28H2%2C10%2C13%2C14%29,22.0,3.0,14.0,-0.384400010108948,2.0,0.147763356566429,-0.843999981880188,1.01999998092651,16.0,33.5144004821777 +InChI%3D1S%2FC15H32N4O5%2Fc1-6%2816%298-5-4-7%2817%2915%2823-8%2924-13-9%2818%2911%2820%2914%2822-3%2910%2819-2%2912%2813%2921%2Fh6-15%2C19-21H%2C4-5%2C16-18H2%2C1-3H3%2Ft6-%2C7%3F%2C8-%2C9-%2C10-%2C11-%2C12%2B%2C13%3F%2C14%2B%2C15%2B%2Fm0%2Fs1,56.0,2.0,0.0,-4.69449996948242,5.0,22.038330078125,-2.40799999237061,2.11999988555908,25.0,82.8266983032227 +InChI%3D1S%2FC20H21N7O6S2%2Fc21-6-11-4-2-1-3-10%2811%295-13%2828%2922-15-17%2831%2927-16%2819%2832%2933%2912%288-34-18%2815%2927%299-35-20-23-24-25-26%2820%297-14%2829%2930%2Fh1-4%2C15%2C18H%2C5-9%2C21H2%2C%28H%2C22%2C28%29%28H%2C29%2C30%29%28H%2C32%2C33%29%2Ft15-%2C18-%2Fm1%2Fs1,56.0,4.0,8.0,-1.08319997787476,10.0,1.17332220077515,-2.16499996185303,2.00999999046326,38.0,91.2378997802734 +InChI%3D1S%2FC18H19F3N2S%2Fc1-22%282%2910-5-11-23-14-6-3-4-7-16%2814%2924-17-9-8-13%2812-15%2817%2923%2918%2819%2C20%2921%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3,43.0,6.0,13.0,1.65489995479584,5.0,2.73869395256042,5.47499990463257,2.77999997138977,26.0,43.7535018920898 +InChI%3D1S%2FC18H22N2O2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2923%2821%2C22%2918-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3,45.0,7.0,16.0,-0.0375999994575977,4.0,0.00141376000829041,3.43700003623962,2.89000010490417,25.0,43.790699005127 +InChI%3D1S%2FC20H28O2%2Fc1-18-9-6-14%2821%2912-13%2818%294-5-15-16%2818%297-10-19%282%2917%2815%298-11-20%2819%2C3%2922%2Fh6%2C9%2C12%2C15-17%2C22H%2C4-5%2C7-8%2C10-11H2%2C1-3H3%2Ft15%3F%2C16-%2C17-%2C18%3F%2C19%3F%2C20-%2Fm0%2Fs1,50.0,0.0,6.0,1.27400004863739,0.0,1.62307596206665,4.51999998092651,3.44000005722046,25.0,88.9448013305664 +InChI%3D1S%2FC22H30O4%2Fc1-20-9-5-15%2823%2913-14%2820%293-4-16-17%2820%296-10-21%282%2918%2816%297-11-22%2821%2C26%2912-8-19%2824%2925%2Fh3-4%2C13%2C16-18%2C26H%2C5-12H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22%2B%2Fm0%2Fs1,56.0,5.0,6.0,1.042799949646,3.0,1.08743178844452,3.40899991989136,3.44000005722046,29.0,100.375198364258 +InChI%3D1S%2FC15H13NO2S%2Fc1-16-11-4-2-3-5-13%2811%2919-14-7-6-10%288-12%2814%2916%299-15%2817%2918%2Fh2-8H%2C9H2%2C1H3%2C%28H%2C17%2C18%29,32.0,4.0,13.0,0.50110000371933,2.0,0.251101195812225,3.37899994850159,2.67000007629395,21.0,28.1567001342773 +InChI%3D1S%2FC14H11ClN2O4S%2Fc15-11-6-5-8%287-12%2811%2922%2816%2C20%2921%2914%2819%2910-4-2-1-3-9%2810%2913%2818%2917-14%2Fh1-7%2C19H%2C%28H%2C17%2C18%29%28H2%2C16%2C20%2C21%29,33.0,3.0,10.0,-0.714100003242493,2.0,0.509938836097717,1.81500005722046,2.11999988555908,24.0,30.0988006591797 +InChI%3D1S%2FC17H13ClN4%2Fc1-11-20-21-16-10-19-17%2812-5-3-2-4-6-12%2914-9-13%2818%297-8-15%2814%2922%2811%2916%2Fh2-9H%2C10H2%2C1H3,35.0,0.0,19.0,0.490599989891052,1.0,0.240688353776932,5.44399976730347,2.77999997138977,25.0,25.5408000946045 +InChI%3D1S%2FC18H37N5O10%2Fc19-2-6-11%2826%2912%2827%299%2823%2917%2830-6%2932-15-4%2820%291-5%2821%2916%2814%2815%2929%2933-18-13%2828%298%2822%2910%2825%297%283-24%2931-18%2Fh4-18%2C24-29H%2C1-3%2C19-23H2%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1,70.0,2.0,0.0,-7.78329992294312,6.0,60.5797576904297,-5.55299997329712,1.78999996185303,35.0,105.838203430176 +InChI%3D1S%2FC21H23ClFN3O%2Fc1-3-25%284-2%2911-12-26-19-10-9-15%2822%2913-17%2819%2921%2824-14-20%2826%2927%2916-7-5-6-8-18%2816%2923%2Fh5-10%2C13H%2C3-4%2C11-12%2C14H2%2C1-2H3,50.0,7.0,17.0,1.02359998226166,6.0,1.0477569103241,4.08799982070923,3.10999989509583,29.0,57.3981018066406 +InChI%3D1S%2FC19H24N2OS%2Fc1-14%2812-20%282%293%2913-21-16-7-5-6-8-18%2816%2923-19-10-9-15%2822-4%2911-17%2819%2921%2Fh5-11%2C14H%2C12-13H2%2C1-4H3%2Ft14-%2Fm1%2Fs1,47.0,7.0,14.0,0.926400005817413,5.0,0.858216941356659,4.21400022506714,3.10999989509583,25.0,50.2583999633789 +InChI%3D1S%2FC10H16N6S%2Fc1-8-9%2816-7-15-8%295-17-4-3-13-10%2812-2%2914-6-11%2Fh7H%2C3-5H2%2C1-2H3%2C%28H%2C15%2C16%29%28H2%2C12%2C13%2C14%29,32.0,11.0,6.0,0.496300011873245,7.0,0.246313691139221,1.37899994850159,1.78999996185303,17.0,50.934398651123 +InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,40.0,6.0,16.0,-0.230199992656708,4.0,0.0529920384287834,5.66200017929077,3.22000002861023,21.0,33.7085990905762 +InChI%3D1S%2FC13H13N3O6S%2Fc1-6%2817%2922-4-7-5-23-12-9%2815-8%2818%292-3-14%2911%2819%2916%2812%2910%287%2913%2820%2921%2Fh9%2C12H%2C2%2C4-5H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C20%2C21%29%2Ft9-%2C12-%2Fm1%2Fs1,36.0,6.0,8.0,-0.553600013256073,6.0,0.306472957134247,-1.73099994659424,1.78999996185303,24.0,77.7454986572266 +InChI%3D1S%2FC10H14N2O5%2Fc1-5-3-12%2810%2816%2911-9%285%2915%298-2-6%2814%297%284-13%2917-8%2Fh3%2C6-8%2C13-14H%2C2%2C4H2%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft6-%2C7%2B%2C8%2B%2Fm0%2Fs1,35.0,2.0,4.0,-2.13050007820129,2.0,4.53903007507324,-1.38100004196167,1.78999996185303,18.0,53.2775993347168 +InChI%3D1S%2FC25H32O8.Na%2Fc1-23-9-7-15%2826%2911-14%2823%293-4-16-17-8-10-25%2832%2C24%2817%2C2%2912-18%2827%2922%2816%2923%2919%2828%2913-33-21%2831%296-5-20%2829%2930%3B%2Fh7%2C9%2C11%2C16-18%2C22%2C27%2C32H%2C3-6%2C8%2C10%2C12-13H2%2C1-2H3%2C%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft16%3F%2C17-%2C18-%2C22%2B%2C23-%2C24-%2C25-%3B%2Fm0.%2Fs1,65.0,11.0,6.0,,7.0,,0.221000000834465,3.22000002861023,36.0, +InChI%3D1S%2FC18H27NO2%2Fc1-3-19%284-2%2914-15-21-17%2820%2918%2812-8-9-13-18%2916-10-6-5-7-11-16%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-15H2%2C1-2H3,48.0,10.0,6.0,-0.170300006866455,8.0,0.0290020909160376,5.39200019836426,3.10999989509583,22.0,56.7695999145508 +InChI%3D1S%2FC17H17NO2%2Fc1-18-8-7-10-3-2-4-12-15%2810%2913%2818%299-11-5-6-14%2819%2917%2820%2916%2811%2912%2Fh2-6%2C13%2C19-20H%2C7-9H2%2C1H3%2Ft13-%2Fm1%2Fs1,37.0,0.0,14.0,-0.52590000629425,0.0,0.276570796966553,3.1489999294281,3.0,23.0,31.1511993408203 +InChI%3D1S%2FC17H12ClNO2S%2Fc18-13-8-6-11%287-9-13%2916-14%2810-15%2820%2921%2922-17%2819-16%2912-4-2-1-3-5-12%2Fh1-9H%2C10H2%2C%28H%2C20%2C21%29,34.0,4.0,17.0,1.1298999786377,4.0,1.2766740322113,5.37900018692017,2.77999997138977,24.0,25.1776008605957 +InChI%3D1S%2FC52H76O24%2Fc1-18-29%2872-34-14-30%2843%2858%2921%284%2968-34%2973-33-13-28%2854%2942%2857%2920%283%2967-33%2912-26-10-25-11-27%2849%2866-9%2948%2863%2941%2856%2919%282%2953%2950%2847%2862%2939%2825%2946%2861%2938%2826%2940%2818%2955%2976-36-16-31%2844%2859%2923%286%2970-36%2974-35-15-32%2845%2860%2922%285%2969-35%2975-37-17-52%288%2C65%2951%2864%2924%287%2971-37%2Fh10%2C12%2C19-24%2C27-28%2C30-37%2C41-45%2C49-51%2C53-61%2C64-65H%2C11%2C13-17H2%2C1-9H3%2Ft19-%2C20-%2C21-%2C22-%2C23-%2C24-%2C27%2B%2C28-%2C30-%2C31-%2C32-%2C33%2B%2C34%2B%2C35%2B%2C36%2B%2C37%2B%2C41%2B%2C42-%2C43%2B%2C44-%2C45-%2C49%2B%2C50%2B%2C51-%2C52%2B%2Fm1%2Fs1,152.0,10.0,15.0,-8.07050037384033,15.0,65.1329727172852,-1.6139999628067,4.53999996185303,83.0,210.279006958008 +InChI%3D1S%2FC6H9N3O2%2Fc7-5%286%2810%2911%291-4-2-8-3-9-4%2Fh2-3%2C5H%2C1%2C7H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%2Ft5-%2Fm0%2Fs1,19.0,6.0,3.0,-0.891200006008148,3.0,0.794237434864044,-3.0220000743866,1.57000005245209,11.0,19.2159996032715 +InChI%3D1S%2FC2H5NO2%2Fc1-2%284%293-5%2Fh5H%2C1H3%2C%28H%2C3%2C4%29,10.0,5.0,4.0,-0.187999993562698,0.0,0.0353440009057522,0.163000002503395,1.35000002384186,4.0,16.1786003112793 +InChI%3D1S%2FC11H15Cl2N5%2Fc1-6%282%2916-10%2814%2918-11%2815%2917-7-3-4-8%2812%299%2813%295-7%2Fh3-6H%2C1-2H3%2C%28H5%2C14%2C15%2C16%2C17%2C18%29,33.0,10.0,13.0,1.11310005187988,6.0,1.23899161815643,3.86500000953674,1.89999997615814,18.0,46.3259010314941 +InChI%3D1S%2FC21H26O3%2Fc1-14%288-7-9-15%282%2912-21%2822%2923%2910-11-19-16%283%2913-20%2824-6%2918%285%2917%2819%294%2Fh7-13H%2C1-6H3%2C%28H%2C22%2C23%29,50.0,13.0,18.0,4.29169988632202,6.0,18.4186897277832,6.02899980545044,3.44000005722046,24.0,80.8047027587891 +InChI%3D1S%2FC6H13NO2%2Fc1-4%282%293-5%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1,22.0,9.0,3.0,-0.318300008773804,3.0,0.101314887404442,-1.38900005817413,1.78999996185303,8.0,33.4837989807129 +InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3,45.0,7.0,8.0,-1.75880002975464,7.0,3.09337735176086,3.65899991989136,3.0,23.0,37.2313995361328 +InChI%3D1S%2FC15H24N2O4S%2Fc1-5-17%286-2%2910-9-16-15%2818%2913-11-12%2822%284%2C19%2920%297-8-14%2813%2921-3%2Fh7-8%2C11H%2C5-6%2C9-10H2%2C1-4H3%2C%28H%2C16%2C18%29,46.0,10.0,13.0,0.0612999983131886,8.0,0.00375769007951021,1.64199995994568,2.33999991416931,22.0,62.2471008300781 +InChI%3D1S%2FC19H23N5O3%2Fc1-10-11%285-6-13-16%2810%2918%2820%2924-19%2821%2923-13%299-22-12-7-14%2825-2%2917%2827-4%2915%288-12%2926-3%2Fh5-8%2C22H%2C9H2%2C1-4H3%2C%28H4%2C20%2C21%2C23%2C24%29,50.0,2.0,12.0,-0.35699999332428,6.0,0.127449005842209,3.21000003814697,2.67000007629395,29.0,52.8600006103516 +InChI%3D1S%2FC39H69NO14.C18H36O2%2Fc1-15-27-39%2811%2C47%2932%2843%2921%284%2929%2842%2919%282%2917-37%289%2C46%2934%2854-36-31%2851-25%288%2941%2926%2840%2812%2913%2916-20%283%2949-36%2922%285%2930%2823%286%2935%2845%2952-27%2953-28-18-38%2810%2C48-14%2933%2844%2924%287%2950-28%3B1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh19-24%2C26-28%2C30-34%2C36%2C43-44%2C46-47H%2C15-18H2%2C1-14H3%3B2-17H2%2C1H3%2C%28H%2C19%2C20%29%2Ft19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2C28%2B%2C30%2B%2C31%3F%2C32-%2C33%2B%2C34-%2C36%2B%2C37-%2C38-%2C39-%3B%2Fm1.%2Fs1,179.0,20.0,3.0,-6.55670022964478,25.0,42.9903144836426,,5.8600001335144,75.0,251.973495483398 +InChI%3D1S%2FC15H20N2O2%2Fc18-14-16-12-15%2819-14%297-10-17%2811-8-15%299-6-13-4-2-1-3-5-13%2Fh1-5H%2C6-12H2%2C%28H%2C16%2C18%29,39.0,2.0,6.0,-0.300700008869171,3.0,0.0904204919934273,4.16699981689453,2.67000007629395,21.0,43.9656982421875 +InChI%3D1S%2FC22H24N2O2%2Fc1-17-7-9-18%2810-8-17%2920%2813-16-24-14-2-3-15-24%2921-6-4-5-19%2823-21%2911-12-22%2825%2926%2Fh4-13H%2C2-3%2C14-16H2%2C1H3%2C%28H%2C25%2C26%29,50.0,5.0,19.0,0.507499992847443,6.0,0.257556259632111,6.17399978637695,3.44000005722046,28.0,54.921199798584 +InChI%3D1S%2FC9H7Cl2N5%2Fc10-5-3-1-2-4%286%285%2911%297-8%2812%2914-9%2813%2916-15-7%2Fh1-3H%2C%28H4%2C12%2C13%2C14%2C16%29,27.0,0.0,6.0,-0.0693999975919724,1.0,0.00481635984033346,2.11199998855591,1.67999994754791,17.0,36.5284004211426 +InChI%3D1S%2FC22H28N2O%2Fc1-2-22%2825%2924%2820-11-7-4-8-12-20%2921-14-17-23%2818-15-21%2916-13-19-9-5-3-6-10-19%2Fh3-12%2C21H%2C2%2C13-18H2%2C1H3,53.0,5.0,9.0,-0.871500015258789,7.0,0.75951224565506,6.73199987411499,3.54999995231628,27.0,48.5969009399414 +InChI%3D1S%2FC14H19N3O%2Fc1-3-17%284-2%2911-10-13-15-14%2816-18-13%2912-8-6-5-7-9-12%2Fh5-9H%2C3-4%2C10-11H2%2C1-2H3,37.0,7.0,6.0,0.288100004196167,6.0,0.0830016136169434,4.28999996185303,2.55999994277954,19.0,32.121898651123 +InChI%3D1S%2FC18H21N3O%2Fc1-19%282%2912-13-21-17-11-7-6-10-16%2817%2920%283%2915-9-5-4-8-14%2815%2918%2821%2922%2Fh4-11H%2C12-13H2%2C1-3H3,43.0,5.0,16.0,-0.278299987316132,3.0,0.0774508863687515,3.49600005149841,3.0,24.0,39.7519989013672 +InChI%3D1S%2FC22H20O13%2Fc1-4-8-5%282-6%2824%299%284%2922%2833%2934%2913%2825%2910-11%2815%288%2927%2916%2828%2912%2818%2830%2917%2810%2929%2921-20%2832%2919%2831%2914%2826%297%283-23%2935-21%2Fh2%2C7%2C14%2C19-21%2C23-24%2C26%2C28-32H%2C3H2%2C1H3%2C%28H%2C33%2C34%29%2Ft7-%2C14%3F%2C19%2B%2C20-%2C21-%2Fm1%2Fs1,55.0,2.0,23.0,-4.20230007171631,3.0,17.6593246459961,-2.27900004386902,2.45000004768372,38.0,67.2509994506836 +InChI%3D1S%2FC37H40N2O6.2ClH%2Fc1-38-14-12-24-19-32%2842-4%2933-21-27%2824%2928%2838%2916-22-6-9-26%2810-7-22%2944-37-35-25%2820-34%2843-5%2936%2837%2941%2913-15-39%282%2C3%2929%2835%2917-23-8-11-30%2840%2931%2818-23%2945-33%3B%3B%2Fh6-11%2C18-21%2C28-29H%2C12-17H2%2C1-5H3%2C%28H-%2C40%2C41%29%3B2%2A1H%2Ft28-%2C29%2B%3B%3B%2Fm0..%2Fs1,89.0,2.0,15.0,-2.23160004615784,2.0,4.9800386428833,5.89300012588501,4.42999982833862,51.0,75.277099609375 +InChI%3D1S%2FC15H14ClNO3%2Fc1-9-7-12%288-13%2818%2919%2917%282%2914%289%2915%2820%2910-3-5-11%2816%296-4-10%2Fh3-7H%2C8H2%2C1-2H3%2C%28H%2C18%2C19%29,34.0,4.0,13.0,1.03299999237061,4.0,1.06708896160126,2.88599991798401,2.55999994277954,21.0,36.8269004821777 +InChI%3D1S%2FC24H31FO6%2Fc1-12-7-16-15-9-18%2825%2917-8-14%2827%295-6-22%2817%2C3%2921%2815%2919%2828%2910-23%2816%2C4%2924%2812%2C30%2920%2829%2911-31-13%282%2926%2Fh5-6%2C8%2C12%2C15-16%2C18-19%2C21%2C28%2C30H%2C7%2C9-11H2%2C1-4H3%2Ft12-%2C15%3F%2C16%2B%2C18%2B%2C19%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2Fm1%2Fs1,62.0,7.0,6.0,-0.427100002765656,4.0,0.182414412498474,1.34700000286102,3.32999992370605,34.0,110.249198913574 +InChI%3D1S%2FC18H33ClN2O5S%2Fc1-5-6-10-7-11%2821%283%298-10%2917%2825%2920-12%289%282%2919%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C22-24H%2C5-8H2%2C1-4H3%2C%28H%2C20%2C25%29%2Ft9-%2C10%2B%2C11-%2C12%2B%2C13-%2C14%2B%2C15%3F%2C16%2B%2C18%2B%2Fm0%2Fs1,60.0,7.0,3.0,-0.472000002861023,7.0,0.222783997654915,2.05599999427795,2.45000004768372,28.0,103.411697387695 +InChI%3D1S%2FC14H18N2O3%2Fc1-5-7-8-10%283%2914%289-6-2%2911%2817%2915-13%2819%2916%284%2912%2814%2918%2Fh6%2C10H%2C2%2C5%2C9H2%2C1%2C3-4H3%2C%28H%2C15%2C17%2C19%29,37.0,6.0,8.0,1.09599995613098,3.0,1.20121598243713,2.11400008201599,2.45000004768372,19.0,72.0988006591797 +InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,8.0,6.0,3.0,0.965200006961823,1.0,0.931611061096191,0.570999979972839,1.24000000953674,5.0,22.619499206543 +InChI%3D1S%2FC23H32O3%2Fc1-3-4-5-22%2825%2926-21-11-10-20-19-8-6-15-14-16%2824%297-9-17%2815%2918%2819%2912-13-23%2820%2C21%292%2Fh7%2C9%2C14%2C18-21%2C24H%2C3-6%2C8%2C10-13H2%2C1-2H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C23%2B%2Fm1%2Fs1,58.0,7.0,7.0,-0.59060001373291,5.0,0.348808348178864,6.77699995040894,3.66000008583069,29.0,72.5942993164062 +InChI%3D1S%2FC9H11N3O4%2Fc10-5-1-2-12-8-7%2816-9%2812%2911-5%296%2814%294%283-13%2915-8%2Fh1-2%2C4%2C6-8%2C10%2C13-14H%2C3H2%2Ft4-%2C6-%2C7%3F%2C8-%2Fm1%2Fs1,31.0,2.0,3.0,-0.934800028800964,1.0,0.87385106086731,-1.34200000762939,1.67999994754791,18.0,50.6967010498047 +InChI%3D1S%2FC26H37N5O2%2Fc1-5-11-30-17-19%2825%2832%2931%2826%2833%2927-6-2%2913-8-12-29%283%294%2914-21-20-9-7-10-22-24%2820%2918%2816-28-22%2915-23%2821%2930%2Fh5%2C7%2C9-10%2C16%2C19%2C21%2C23%2C28H%2C1%2C6%2C8%2C11-15%2C17H2%2C2-4H3%2C%28H%2C27%2C33%29%2Ft19-%2C21%3F%2C23-%2Fm1%2Fs1,69.0,14.0,7.0,0.250999987125397,10.0,0.0630009993910789,2.87700009346008,3.54999995231628,36.0,94.372802734375 +InChI%3D1S%2FC20H27N5O5S%2Fc1-15-14-18%2823-30-15%2919%2826%2921-11-10-16-6-8-17%289-7-16%2931%2828%2C29%2924-20%2827%2922-25-12-4-2-3-5-13-25%2Fh6-9%2C14H%2C2-5%2C10-13H2%2C1H3%2C%28H%2C21%2C26%29%28H2%2C22%2C24%2C27%29,58.0,7.0,14.0,-1.69749999046326,9.0,2.8815062046051,3.50300002098083,2.45000004768372,33.0,67.5449981689453 +InChI%3D1S%2FC19H24O3%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15%2818%298-10-19%282%2916%2814%295-6-17%2821%2922-19%2Fh7%2C9%2C11%2C14-16H%2C3-6%2C8%2C10H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1,46.0,0.0,6.0,1.07159996032715,0.0,1.14832651615143,3.68300008773804,3.22000002861023,25.0,83.4629974365234 +InChI%3D1S%2FC25H32N2O2%2Fc1-21%2820-26-16-18-29-19-17-26%2925%2822-10-4-2-5-11-22%2C23-12-6-3-7-13-23%2924%2828%2927-14-8-9-15-27%2Fh2-7%2C10-13%2C21H%2C8-9%2C14-20H2%2C1H3%2Ft21-%2Fm1%2Fs1,61.0,6.0,6.0,-1.50689995288849,7.0,2.27074766159058,6.60400009155273,3.76999998092651,32.0,61.9230003356934 +InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3,44.0,7.0,7.0,0.214000001549721,7.0,0.0457959994673729,3.18300008773804,2.89000010490417,22.0,38.6417999267578 +InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-3-6-8%2813%297%2812%2820%2921%2910%2815%2911%289%286%2914%2917-5%282%2919%2Fh3H2%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C17%2C19%29%28H%2C20%2C21%29,32.0,5.0,12.0,3.66449999809265,4.0,13.428560256958,3.375,1.78999996185303,21.0,81.3849029541016 +InChI%3D1S%2FC20H24N2OS%2Fc1-5-18%2823%2915-10-11-20-17%2812-15%2922%2813-14%282%2921%283%294%2916-8-6-7-9-19%2816%2924-20%2Fh6-12%2C14H%2C5%2C13H2%2C1-4H3,48.0,6.0,15.0,0.6564000248909,5.0,0.430860966444016,4.21799993515015,3.22000002861023,26.0,54.7855987548828 +InChI%3D1S%2FC22H23NO7%2Fc1-23-8-7-11-9-14-20%2829-10-28-14%2921%2827-4%2915%2811%2917%2823%2918-12-5-6-13%2825-2%2919%2826-3%2916%2812%2922%2824%2930-18%2Fh5-6%2C9%2C17-18H%2C7-8%2C10H2%2C1-4H3%2Ft17-%2C18%2B%2Fm1%2Fs1,53.0,2.0,11.0,-0.267300009727478,4.0,0.0714492872357368,1.5789999961853,3.0,34.0,60.2657012939453 +InChI%3D1S%2FC24H29N5O3%2Fc1-4-5-10-21%2830%2929%2822%2816%282%293%2924%2831%2932%2915-17-11-13-18%2814-12-17%2919-8-6-7-9-20%2819%2923-25-27-28-26-23%2Fh6-9%2C11-14%2C16%2C22H%2C4-5%2C10%2C15H2%2C1-3H3%2C%28H%2C31%2C32%29%28H%2C25%2C26%2C27%2C28%29%2Ft22-%2Fm1%2Fs1,60.0,15.0,12.0,-0.937099993228912,11.0,0.878156423568726,6.90000009536743,3.22000002861023,34.0,53.2346992492676 +InChI%3D1S%2FC4H11N5%2Fc1-9%282%294%287%298-3%285%296%2Fh1-2H3%2C%28H5%2C5%2C6%2C7%2C8%29,20.0,9.0,7.0,-0.223100006580353,3.0,0.0497736111283302,0.558000028133392,1.35000002384186,8.0,31.2928009033203 +InChI%3D1S%2FC20H28N2O3%2Fc1-22-14-8-13-21-18%2822%2915-25-19%2823%2920%2824%2C16-9-4-2-5-10-16%2917-11-6-3-7-12-17%2Fh2%2C4-5%2C9-10%2C17%2C24H%2C3%2C6-8%2C11-15H2%2C1H3,53.0,6.0,6.0,-2.56030011177063,6.0,6.55513620376587,4.82000017166138,3.10999989509583,27.0,62.7070007324219 +InChI%3D1S%2FC23H32N2O5%2Fc1-3-30-23%2829%2918%2813-12-16-8-5-4-6-9-16%2924-15%282%2921%2826%2925-19-11-7-10-17%2819%2914-20%2825%2922%2827%2928%2Fh4-6%2C8-9%2C15%2C17-20%2C24H%2C3%2C7%2C10-14H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft15-%2C17-%2C18-%2C19-%2C20-%2Fm0%2Fs1,62.0,13.0,6.0,-2.10030007362366,11.0,4.41126012802124,4.91599988937378,3.22000002861023,32.0,78.8145980834961 +InChI%3D1S%2FC6H9NO6%2Fc8-3-1-11-6-4%2813-7%289%2910%292-12-5%283%296%2Fh3-6%2C8H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6%2B%2Fm0%2Fs1,22.0,4.0,4.0,-0.961099982261658,2.0,0.923713207244873,-0.907999992370605,1.35000002384186,14.0,33.0547981262207 +InChI%3D1S%2FC9H23NO3PS.HI%2Fc1-6-12-14%2811%2C13-7-2%2915-9-8-10%283%2C4%295%3B%2Fh6-9H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1,39.0,15.0,4.0,,8.0,,1.53400003910065,1.67999994754791,14.0, +InChI%3D1S%2FC21H21N%2Fc1-22-14-12-18%2813-15-22%2921-19-8-4-2-6-16%2819%2910-11-17-7-3-5-9-20%2817%2921%2Fh2-11H%2C12-15H2%2C1H3,43.0,0.0,16.0,1.19430005550385,0.0,1.42635250091553,7.96199989318848,3.66000008583069,25.0,45.119701385498 +InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm1%2Fs1,54.0,13.0,6.0,0.39410001039505,9.0,0.155314803123474,7.62900018692017,3.54999995231628,26.0,51.3361015319824 +InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C25%2B%2C26%2B%2C27%3F%2C28%2B%2Fm1%2Fs1,73.0,8.0,6.0,-0.0333999991416931,8.0,0.0011155599495396,2.6949999332428,3.66000008583069,39.0,129.645294189453 +InChI%3D1S%2FC14H14ClNS%2Fc15-13-4-2-1-3-11%2813%299-16-7-5-14-12%2810-16%296-8-17-14%2Fh1-4%2C6%2C8H%2C5%2C7%2C9-10H2,31.0,0.0,6.0,1.0949000120163,2.0,1.19880604743958,4.07999992370605,2.67000007629395,19.0,33.3553009033203 +InChI%3D1S%2FC28H24N6.2BrH%2Fc1-21-27%2823-13-5-3-6-14-23%2933%2825-17-9-11-19-31%2821%2925%2929-30-34-26-18-10-12-20-32%2826%2922%282%2928%2834%2924-15-7-4-8-16-24%3B%3B%2Fh3-20H%2C1-2H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2,62.0,2.0,6.0,,4.0,,10.2559995651245,3.66000008583069,39.0, +InChI%3D1S%2FC35H62N4O4.2BrH%2Fc1-24%2840%2942-32-21-26-9-10-27-28%2835%2826%2C4%2923-31%2832%2937-15-19-39%287%2C8%2920-16-37%2911-12-34%283%2929%2827%2922-30%2833%2834%2943-25%282%2941%2936-13-17-38%285%2C6%2918-14-36%3B%3B%2Fh26-33H%2C9-23H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26-%2C27%2B%2C28%3F%2C29-%2C30-%2C31-%2C32-%2C33%3F%2C34%3F%2C35%3F%3B%3B%2Fm0..%2Fs1,107.0,4.0,3.0,,6.0,,5.8439998626709,4.21000003814697,48.0, +InChI%3D1S%2FC14H21N3O2S%2Fc1-15-20%2818%2C19%2910-11-4-5-14-13%288-11%2912%289-16-14%296-7-17%282%293%2Fh4-5%2C8-9%2C15-16H%2C6-7%2C10H2%2C1-3H3,40.0,6.0,7.0,-0.337599992752075,6.0,0.113973759114742,1.08299994468689,2.33999991416931,21.0,45.0059013366699 +InChI%3D1S%2FC13H16ClNO%2Fc1-15-13%289-5-4-8-12%2813%2916%2910-6-2-3-7-11%2810%2914%2Fh2-3%2C6-7%2C15H%2C4-5%2C8-9H2%2C1H3,32.0,2.0,6.0,-0.408100008964539,2.0,0.166545614600182,2.96600008010864,2.55999994277954,17.0,37.0854988098145 +InChI%3D1S%2FCH5N3%2Fc2-1%283%294%2Fh%28H5%2C2%2C3%2C4%29,9.0,4.0,4.0,-0.469500005245209,0.0,0.220430254936218,-0.646000027656555,1.24000000953674,3.0,11.1997003555298 +InChI%3D1S%2FC17H24N2O2%2Fc1-3-19%284-2%2913-12-17%2814-8-6-5-7-9-14%2911-10-15%2820%2918-16%2817%2921%2Fh5-9H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C18%2C20%2C21%29,45.0,7.0,6.0,-0.138099998235703,6.0,0.0190716106444597,4.08099985122681,2.89000010490417,22.0,57.2960014343262 +InChI%3D1S%2FC18H28N4O%2Fc1-3-5-13-22%2814-6-4-2%2915-12-19-18-20-17%2821-23-18%2916-10-8-7-9-11-16%2Fh7-11H%2C3-6%2C12-15H2%2C1-2H3%2C%28H%2C19%2C20%2C21%29,53.0,12.0,6.0,-1.42799997329712,10.0,2.03918409347534,5.59899997711182,2.89000010490417,24.0,61.5312004089355 +InChI%3D1S%2FC10H15N3%2Fc1-11-10%2812-2%2913-8-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3%2C%28H2%2C11%2C12%2C13%29,28.0,7.0,6.0,-0.589600026607513,4.0,0.347628146409988,3.15599989891052,2.23000001907349,13.0,27.0251007080078 +InChI%3D1S%2FC12H18N2O4%2Fc1-17-8-3-4-11%2818-2%299%285-8%2910%2815%297-14-12%2816%296-13%2Fh3-5%2C10%2C15H%2C6-7%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29,36.0,8.0,8.0,-1.86020004749298,6.0,3.46034407615662,-0.261000007390976,2.11999988555908,18.0,42.3800010681152 +InChI%3D1S%2FC21H25NO3%2Fc23-20%2825-17-16-22-14-8-3-9-15-22%2921%2824%2C18-10-4-1-5-11-18%2919-12-6-2-7-13-19%2Fh1-2%2C4-7%2C10-13%2C24H%2C3%2C8-9%2C14-17H2,50.0,7.0,6.0,-1.64069998264313,7.0,2.69189643859863,5.52699995040894,3.32999992370605,27.0,41.6408996582031 +InChI%3D1S%2FC5H9NO4S%2Fc6-3%285%289%2910%291-11-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,20.0,11.0,3.0,-0.986199975013733,5.0,0.972590446472168,-3.09400010108948,1.35000002384186,10.0,39.0512008666992 +InChI%3D1S%2FC20H22N2S%2Fc1-3-7-19-17%285-1%2922%2818-6-2-4-8-20%2818%2923-19%2914-16-13-21-11-9-15%2816%2910-12-21%2Fh1-8%2C15-16H%2C9-14H2,45.0,0.0,13.0,-0.524800002574921,2.0,0.275415033102036,4.76300001144409,3.32999992370605,27.0,43.8670997619629 +InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29,36.0,2.0,8.0,0.416399985551834,2.0,0.173388957977295,2.91000008583069,2.55999994277954,22.0,38.2625007629395 +InChI%3D1S%2FC21H27N5O9S2%2Fc1-9%282%2933-21%2830%2935-10%283%2934-19%2829%2915-11%286-31-4%297-36-18-14%2817%2828%2926%2815%2918%2924-16%2827%2913%2825-32-5%2912-8-37-20%2822%2923-12%2Fh8-10%2C14%2C18H%2C6-7H2%2C1-5H3%2C%28H2%2C22%2C23%29%28H%2C24%2C27%29%2Fb25-13-%2Ft10%3F%2C14-%2C18-%2Fm1%2Fs1,66.0,12.0,8.0,0.869700014591217,13.0,0.75637811422348,1.84399998188019,2.00999999046326,39.0,131.410995483398 +InChI%3D1S%2FC17H27NO2%2Fc1-18%282%2913-16%2817%2819%2911-5-4-6-12-17%2914-7-9-15%2820-3%2910-8-14%2Fh7-10%2C16%2C19H%2C4-6%2C11-13H2%2C1-3H3,47.0,5.0,7.0,-1.22650003433228,5.0,1.50430226325989,3.23900008201599,3.0,21.0,51.6282005310059 +InChI%3D1S%2FC15H23N3O4S%2Fc1-14%282%299%2812%2820%2921%2918-10%2819%298%2811%2818%2923-14%2917-13%2822%2915%2816%296-4-3-5-7-15%2Fh8-9%2C11H%2C3-7%2C16H2%2C1-2H3%2C%28H%2C17%2C22%29%28H%2C20%2C21%29%2Ft8-%2C9%2B%2C11-%2Fm1%2Fs1,46.0,3.0,3.0,-1.34109997749329,3.0,1.79854917526245,-1.97500002384186,2.23000001907349,25.0,78.685302734375 +InChI%3D1S%2FC17H25NO4%2Fc1-20-13-11-15%2821-2%2917%2816%2812-13%2922-3%2914%2819%297-6-10-18-8-4-5-9-18%2Fh11-12H%2C4-10H2%2C1-3H3,47.0,5.0,11.0,-1.20039999485016,8.0,1.4409601688385,1.51300001144409,2.77999997138977,23.0,57.6119995117188 +InChI%3D1S%2FC14H15N3O5S2.Na%2Fc1-9%2818%2917-24%2821%2C22%2914-8-11%2816%294-7-13%2814%2923%2819%2C20%2912-5-2-10%2815%293-6-12%3B%2Fh2-8H%2C15-16H2%2C1H3%2C%28H%2C17%2C18%29%3B%2Fq%3B%2B1%2Fp-1,39.0,7.0,23.0,,4.0,,0.177000001072884,1.78999996185303,25.0, +InChI%3D1S%2FC10H13N5O4%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2818%296%2817%294%281-16%2919-10%2Fh2-4%2C6-7%2C10%2C16-18H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Ft4-%2C6-%2C7-%2C10%3F%2Fm1%2Fs1,32.0,2.0,9.0,-2.27909994125366,2.0,5.19429683685303,-1.80900001525879,1.57000005245209,21.0,34.5163993835449 +InChI%3D1S%2FC14H22ClNO2%2Fc1-10-5-6-12%2815%2913%287-10%2918-9-11%2817%298-16-14%282%2C3%294%2Fh5-7%2C11%2C16-17H%2C8-9H2%2C1-4H3,40.0,10.0,7.0,1.35790002346039,6.0,1.84389245510101,3.01300001144409,2.55999994277954,18.0,50.9241981506348 +InChI%3D1S%2FC14H17N3O%2Fc1-16-9-3-5-13-11%287-9%2910-6-8%2814%2815%2918%292-4-12%2810%2917-13%2Fh2%2C4%2C6%2C9%2C16-17H%2C3%2C5%2C7H2%2C1H3%2C%28H2%2C15%2C18%29%2Ft9-%2Fm1%2Fs1,34.0,2.0,10.0,-0.420100003480911,2.0,0.176484003663063,2.2720000743866,2.55999994277954,20.0,33.0998001098633 +InChI%3D1S%2FC5H10N2O3%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H2%2C7%2C8%29%28H%2C9%2C10%29,20.0,10.0,3.0,-1.48160004615784,4.0,2.19513845443726,-2.94300007820129,1.46000003814697,9.0,30.7014007568359 +InChI%3D1S%2FC18H22N2%2Fc1-19-12-14-20%2815-13-19%2918%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18H%2C12-15H2%2C1H3,42.0,0.0,6.0,0.124700002372265,3.0,0.0155500900000334,5.55900001525879,3.22000002861023,22.0,33.7393989562988 +InChI%3D1S%2FC13H18ClN3O4S2%2Fc14-9-6-10-12%287-11%289%2922%2815%2C18%2919%2923%2820%2C21%2917-13%2816-10%295-8-3-1-2-4-8%2Fh6-8%2C13%2C16-17H%2C1-5H2%2C%28H2%2C15%2C18%2C19%29,41.0,3.0,15.0,-2.0757999420166,3.0,4.30894565582275,1.42999994754791,1.78999996185303,25.0,54.8175010681152 +InChI%3D1S%2FC17H12ClF3N2O%2Fc18-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2922-9-15%2824%2923%2814%2910-17%2819%2C20%2921%2Fh1-8H%2C9-10H2,36.0,5.0,17.0,0.911800026893616,3.0,0.831379234790802,5.27699995040894,2.55999994277954,26.0,35.3689994812012 +InChI%3D1S%2FC19H39N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh8-18%2C24-27H%2C3-7%2C20-23H2%2C1-2H3%2Ft8-%2C9%2B%2C10-%2C11%2B%2C12-%2C13%2B%2C14%2B%2C15-%2C16%2B%2C17%3F%2C18%3F%2C19-%2Fm0%2Fs1,70.0,2.0,0.0,-6.19040012359619,6.0,38.3210525512695,-3.73000001907349,2.23000001907349,33.0,103.186096191406 +InChI%3D1S%2FC4H7NO2S%2Fc6-4%287%293-1-8-2-5-3%2Fh3%2C5H%2C1-2H2%2C%28H%2C6%2C7%29,15.0,3.0,3.0,-0.209600001573563,1.0,0.0439321584999561,-0.287999987602234,1.46000003814697,8.0,30.5816993713379 +InChI%3D1S%2FC21H24ClN3O3%2Fc1-24%2815-20%2826%2925-10-12-28-13-11-25%2914-17-18%2822%298-5-9-19%2817%2923-21%2827%2916-6-3-2-4-7-16%2Fh2-9H%2C10-15H2%2C1H3%2C%28H%2C23%2C27%29,52.0,6.0,15.0,-0.154499992728233,7.0,0.023870250210166,3.92700004577637,3.0,30.0,59.8703002929688 +InChI%3D1S%2FC16H25NO3%2Fc1-11%282%2914-10-15%2820-13%284%2918%2912%283%299-16%2814%2919-8-7-17%285%296%2Fh9-11H%2C7-8H2%2C1-6H3,45.0,6.0,10.0,1.22060000896454,7.0,1.48986434936523,3.28299999237061,2.77999997138977,20.0,56.8208999633789 +InChI%3D1S%2FC16H25NO2%2Fc1-17%282%2912-14-7-4-5-10-16%2814%2C18%2913-8-6-9-15%2811-13%2919-3%2Fh6%2C8-9%2C11%2C14%2C18H%2C4-5%2C7%2C10%2C12H2%2C1-3H3%2Ft14-%2C16%2B%2Fm1%2Fs1,44.0,4.0,7.0,-0.938499987125397,4.0,0.88078224658966,2.88100004196167,2.89000010490417,20.0,48.7165985107422 +InChI%3D1S%2FC16H20N4O3S%2Fc1-11%282%2918-16%2821%2920-24%2822%2C23%2915-10-17-8-7-14%2815%2919-13-6-4-5-12%283%299-13%2Fh4-11H%2C1-3H3%2C%28H%2C17%2C19%29%28H2%2C18%2C20%2C21%29,48.0,10.0,8.0,-0.542699992656708,5.0,0.294523298740387,3.16000008583069,2.33999991416931,25.0,67.4225997924805 +InChI%3D1S%2FC20H28N2O5S%2Fc1-4-26-17-7-5-6-8-18%2817%2927-12-11-22-15%282%2913-16-9-10-19%2825-3%2920%2814-16%2928%2821%2C23%2924%2Fh5-10%2C14-15%2C22H%2C4%2C11-13H2%2C1-3H3%2C%28H2%2C21%2C23%2C24%29%2Ft15-%2Fm1%2Fs1,56.0,7.0,11.0,-1.27769994735718,11.0,1.63251733779907,2.67799997329712,2.77999997138977,29.0,58.5724983215332 +InChI%3D1S%2FC16H15N5O7S2%2Fc1-2-6-4-29-14-10%2813%2825%2921%2814%2911%286%2915%2826%2927%2919-12%2824%299%2820-28-3-8%2822%2923%297-5-30-16%2817%2918-7%2Fh2%2C5%2C10%2C14H%2C1%2C3-4H2%2C%28H2%2C17%2C18%29%28H%2C19%2C24%29%28H%2C22%2C23%29%28H%2C26%2C27%29%2Fb20-9-%2Ft10-%2C14-%2Fm1%2Fs1,47.0,10.0,10.0,-0.0604000017046928,8.0,0.00364816002547741,0.24099999666214,1.67999994754791,32.0,105.24829864502 +InChI%3D1S%2FC6H14N2O2.ClH%2Fc1-8%282%2C3%294-5-10-6%287%299%3B%2Fh4-5H2%2C1-3H3%2C%28H-%2C7%2C9%29%3B1H,26.0,10.0,4.0,-1.32239997386932,4.0,1.74874174594879,0.671000003814697,1.57000005245209,9.0,34.0643997192383 +InChI%3D1S%2FC17H28N2O%2Fc1-6-12-19%288-3%2915%287-2%2917%2820%2918-16-13%284%2910-9-11-14%2816%295%2Fh9-11%2C15H%2C6-8%2C12H2%2C1-5H3%2C%28H%2C18%2C20%29,48.0,12.0,9.0,0.949400007724762,7.0,0.901360332965851,4.67700004577637,3.0,20.0,58.0247001647949 +InChI%3D1S%2FC7H11NO7P2%2Fc9-7%2816%2810%2C11%2912%2C17%2813%2C14%2915%294-6-2-1-3-8-5-6%2Fh1-3%2C5%2C9H%2C4H2%2C%28H2%2C10%2C11%2C12%29%28H2%2C13%2C14%2C15%29,28.0,11.0,6.0,-0.88730001449585,4.0,0.787301301956177,-3.00099992752075,1.12999999523163,17.0,32.5373001098633 +InChI%3D1S%2FC3H11NO7P2%2Fc4-2-1-3%285%2C12%286%2C7%298%2913%289%2C10%2911%2Fh5H%2C1-2%2C4H2%2C%28H2%2C6%2C7%2C8%29%28H2%2C9%2C10%2C11%29,24.0,13.0,4.0,-2.16919994354248,4.0,4.70542860031128,-4.6560001373291,0.689999997615814,12.0,39.9314002990723 +InChI%3D1S%2FC16H14N2O4%2Fc1-7%282%298-3-4-12-9%285-8%2913%2819%2910-6-11%2816%2820%2921%2914%2817%2918-15%2810%2922-12%2Fh3-7H%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C20%2C21%29,36.0,3.0,19.0,-0.834699988365173,2.0,0.696724116802216,3.35400009155273,2.55999994277954,24.0,32.6743011474609 +InChI%3D1S%2FC16H18N2%2Fc1-18-10-14%2812-6-3-2-4-7-12%2913-8-5-9-16%2817%2915%2813%2911-18%2Fh2-9%2C14H%2C10-11%2C17H2%2C1H3,36.0,0.0,7.0,-0.645500004291534,1.0,0.416670262813568,4.55999994277954,3.0,20.0,25.8141002655029 +InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,23.0,2.0,5.0,-0.761099994182587,3.0,0.579273223876953,0.759999990463257,1.57000005245209,13.0,50.7221984863281 +InChI%3D1S%2FC10H12ClNO2%2Fc11-9-3-1-7%282-4-9%298%286-12%295-10%2813%2914%2Fh1-4%2C8H%2C5-6%2C12H2%2C%28H%2C13%2C14%29,26.0,7.0,6.0,-0.505100011825562,4.0,0.255125999450684,1.57700002193451,2.11999988555908,14.0,29.1212005615234 +InChI%3D1S%2FC15H16N2O6S2%2Fc1-15%282%299%2814%2822%2923%2917-11%2819%298%2812%2817%2925-15%2916-10%2818%297%2813%2820%2921%296-3-4-24-5-6%2Fh3-5%2C7-9%2C12H%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29%28H%2C22%2C23%29%2Ft7-%2C8-%2C9%2B%2C12-%2Fm1%2Fs1,41.0,7.0,5.0,0.252600014209747,5.0,0.0638067573308945,0.303999990224838,2.00999999046326,27.0,73.1561965942383 +InChI%3D1S%2FC12H14N4O3S%2Fc1-8-14-11%287-12%2815-8%2919-2%2916-20%2817%2C18%2910-5-3-9%2813%294-6-10%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,34.0,4.0,18.0,-1.68690001964569,4.0,2.84563159942627,1.33299994468689,1.89999997615814,21.0,28.5781993865967 +InChI%3D1S%2FC16H17N3O5S%2Fc1-7-6-25-15-11%2814%2822%2919%2815%2912%287%2916%2823%2924%2918-13%2821%2910%2817%298-2-4-9%2820%295-3-8%2Fh2-5%2C10-11%2C15%2C20H%2C6%2C17H2%2C1H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1,42.0,5.0,8.0,-1.27880001068115,4.0,1.63532948493958,-2.6010000705719,2.23000001907349,27.0,66.1809997558594 +InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29,36.0,0.0,6.0,-2.05949997901917,1.0,4.24154043197632,1.93400001525879,2.00999999046326,21.0,40.4961013793945 +InChI%3D1S%2FC20H22N4O10S%2Fc1-9%2825%2933-10%282%2934-19%2828%2915-11%287-32-20%2821%2929%298-35-18-14%2817%2827%2924%2815%2918%2922-16%2826%2913%2823-30-3%2912-5-4-6-31-12%2Fh4-6%2C10%2C14%2C18H%2C7-8H2%2C1-3H3%2C%28H2%2C21%2C29%29%28H%2C22%2C26%29%2Fb23-13-%2Ft10%3F%2C14-%2C18-%2Fm1%2Fs1,57.0,9.0,11.0,0.156599998474121,12.0,0.0245235599577427,1.37699997425079,2.00999999046326,37.0,99.8916015625 +InChI%3D1S%2FC21H28O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh4-5%2C12%2C16-19H%2C6-11H2%2C1-3H3%2Ft16%3F%2C17-%2C18%2B%2C19-%2C20-%2C21-%2Fm1%2Fs1,51.0,2.0,6.0,1.33879995346069,1.0,1.79238545894623,4.70800018310547,3.54999995231628,26.0,93.6792984008789 +InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-10-7%2813%296%2812%2820%2921%298%2814%2911%289%2810%2915%2917%283%295%282%2919%2Fh1-3H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29,32.0,5.0,15.0,3.4261999130249,4.0,11.7388467788696,3.15599989891052,1.78999996185303,21.0,81.5213012695312 +InChI%3D1S%2FC8H14N2O2%2Fc1-2-6%288%289%2912%2910-5-3-4-7%2810%2911%2Fh6H%2C2-5H2%2C1H3%2C%28H2%2C9%2C12%29%2Ft6-%2Fm0%2Fs1,26.0,6.0,3.0,-1.35179996490479,3.0,1.82736325263977,0.501999974250793,1.89999997615814,12.0,40.2239990234375 +InChI%3D1S%2FC11H18N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,34.0,5.0,8.0,-0.97130000591278,4.0,0.943423688411713,3.06900000572205,2.11999988555908,16.0,56.263801574707 +InChI%3D1S%2FC15H26N2%2Fc1-3-7-16-11-13-9-12%2814%2816%295-1%2910-17-8-4-2-6-15%2813%2917%2Fh12-15H%2C1-11H2%2Ft12-%2C13%3F%2C14%2B%2C15-%2Fm0%2Fs1,43.0,0.0,0.0,-2.30579996109009,0.0,5.31671380996704,2.11999988555908,2.89000010490417,20.0,59.3811988830566 +InChI%3D1S%2FCH3O5P.3Na%2Fc2-1%283%297%284%2C5%296%3B%3B%3B%2Fh%28H%2C2%2C3%29%28H2%2C4%2C5%2C6%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3,10.0,7.0,7.0,,1.0,,-2.60800004005432,0.579999983310699,6.0, +InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,25.0,2.0,8.0,-0.816699981689453,2.0,0.666998863220215,1.42299997806549,1.78999996185303,13.0,44.8168983459473 +InChI%3D1S%2FC11H11NO2%2Fc1-12-10%2813%297-9%2811%2812%2914%298-5-3-2-4-6-8%2Fh2-6%2C9H%2C7H2%2C1H3,25.0,0.0,6.0,-0.765900015830994,1.0,0.586602807044983,2.37199997901917,2.33999991416931,15.0,26.2504997253418 +InChI%3D1S%2FC19H23ClN2%2Fc1-21%282%2912-5-13-22-18-7-4-3-6-15%2818%298-9-16-10-11-17%2820%2914-19%2816%2922%2Fh3-4%2C6-7%2C10-11%2C14H%2C5%2C8-9%2C12-13H2%2C1-2H3,45.0,6.0,13.0,0.835300028324127,4.0,0.69772607088089,5.12900018692017,3.22000002861023,24.0,44.8717994689941 +InChI%3D1S%2FC22H30N6O4S%2Fc1-5-7-17-19-20%2827%284%2925-17%2922%2829%2924-21%2823-19%2916-14-15%288-9-18%2816%2932-6-2%2933%2830%2C31%2928-12-10-26%283%2911-13-28%2Fh8-9%2C14H%2C5-7%2C10-13H2%2C1-4H3%2C%28H%2C23%2C24%2C29%29,65.0,3.0,11.0,-1.36459994316101,7.0,1.86213314533234,0.97000002861023,2.67000007629395,36.0,85.9704971313477 +InChI%3D1S%2FC19H22N2O3%2Fc1-2-3-14-17%2819%2823%2924%2918%2822%2921%2816-12-8-5-9-13-16%2920-15-10-6-4-7-11-15%2Fh4-13%2C17%2C20H%2C2-3%2C14H2%2C1H3%2C%28H%2C23%2C24%29,46.0,12.0,16.0,-1.70879995822906,9.0,2.91999745368958,6.76800012588501,3.0,25.0,37.7560997009277 +InChI%3D1S%2FC17H20BrNO%2Fc1-19%282%2912-13-20-17%2814-6-4-3-5-7-14%2915-8-10-16%2818%2911-9-15%2Fh3-11%2C17H%2C12-13H2%2C1-2H3,40.0,7.0,6.0,0.925300002098083,6.0,0.85618007183075,5.52699995040894,3.0,21.0,37.331901550293 +InChI%3D1S%2FC18H29NO3%2Fc1-14%282%2919-11-17%2820%2913-22-18-7-5-15%286-8-18%299-10-21-12-16-3-4-16%2Fh5-8%2C14%2C16-17%2C19-20H%2C3-4%2C9-13H2%2C1-2H3,51.0,9.0,7.0,-0.680000007152557,11.0,0.462399989366531,2.7720000743866,3.0,23.0,62.7029991149902 +InChI%3D1S%2FC31H36N2O11.Na%2Fc1-14%282%297-8-16-13-17%289-11-19%2816%2934%2927%2837%2933-21-22%2835%2918-10-12-20%2815%283%2924%2818%2942-28%2821%2938%2941-29-23%2836%2925%2843-30%2832%2939%2926%2840-6%2931%284%2C5%2944-29%3B%2Fh7%2C9-13%2C23%2C25-26%2C29%2C34-36H%2C8H2%2C1-6H3%2C%28H2%2C32%2C39%29%28H%2C33%2C37%29%3B%2Fq%3B%2B1%2Fp-1%2Ft23-%2C25%2B%2C26-%2C29%3F%3B%2Fm1.%2Fs1,82.0,5.0,10.0,,10.0,,3.95099997520447,3.32999992370605,47.0, +InChI%3D1S%2FC12H17NO%2Fc1-10-12%2814-9-8-13%2810%292%2911-6-4-3-5-7-11%2Fh3-7%2C10%2C12H%2C8-9H2%2C1-2H3,31.0,0.0,6.0,-0.0649000033736229,1.0,0.00421201018616557,3.06800007820129,2.55999994277954,15.0,32.3326988220215 +InChI%3D1S%2FC12H15N3O2S2%2Fc1-12%282%2C3%2910-13-14-11%2818-10%2915-19%2816%2C17%299-7-5-4-6-8-9%2Fh4-8H%2C1-3H3%2C%28H%2C14%2C15%29,34.0,4.0,15.0,1.21029996871948,4.0,1.46482610702515,3.32100009918213,2.00999999046326,20.0,38.0619010925293 +InChI%3D1S%2FC9H13NO3%2Fc1-10-5-9%2813%296-2-3-7%2811%298%2812%294-6%2Fh2-4%2C9-13H%2C5H2%2C1H3%2Ft9-%2Fm0%2Fs1,26.0,5.0,8.0,-1.73780000209808,3.0,3.01994872093201,-0.0700000002980232,2.00999999046326,13.0,24.8006000518799 +InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3,35.0,8.0,8.0,-0.806500017642975,4.0,0.650442242622375,0.800999999046326,2.33999991416931,16.0,38.6044006347656 +InChI%3D1S%2FC15H12N2O%2Fc16-15%2818%2917-13-7-3-1-5-11%2813%299-10-12-6-2-4-8-14%2812%2917%2Fh1-10H%2C%28H2%2C16%2C18%29,30.0,3.0,18.0,0.393299996852875,1.0,0.154684886336327,6.09700012207031,2.77999997138977,20.0,21.2961006164551 +InChI%3D1S%2FC22H24N2O9.2H2O%2Fc1-21%2832%297-5-4-6-8%2825%299%287%2915%2826%2910-12%2821%2917%2828%2913-14%2824%282%293%2916%2827%2911%2820%2823%2931%2919%2830%2922%2813%2C33%2918%2810%2929%3B%3B%2Fh4-6%2C12-14%2C17%2C25%2C27-29%2C32-33H%2C1-3H3%2C%28H2%2C23%2C31%29%3B2%2A1H2%2Ft12%3F%2C13-%2C14%2B%2C17%2B%2C21-%2C22%2B%3B%3B%2Fm1..%2Fs1,63.0,3.0,12.0,-3.38590002059937,2.0,11.464319229126,,2.45000004768372,36.0,88.6361999511719 +InChI%3D1S%2FC9H11NO4%2Fc10-6%289%2813%2914%293-5-1-2-7%2811%298%2812%294-5%2Fh1-2%2C4%2C6%2C11-12H%2C3%2C10H2%2C%28H%2C13%2C14%29%2Ft6-%2Fm0%2Fs1,25.0,6.0,8.0,-2.00500011444092,3.0,4.02002477645874,-2.11100006103516,1.89999997615814,14.0,24.7588005065918 +InChI%3D1S%2FC15H20N2O4S%2Fc1-11%2818%2912-7-9-14%2810-8-12%2922%2820%2C21%2917-15%2819%2916-13-5-3-2-4-6-13%2Fh7-10%2C13H%2C2-6H2%2C1H3%2C%28H2%2C16%2C17%2C19%29,42.0,7.0,15.0,-2.35610008239746,5.0,5.55120706558228,2.87199997901917,2.33999991416931,23.0,48.2519989013672 +InChI%3D1S%2FC22H28N6O3S%2Fc1-15%282%2924-19-5-4-8-23-21%2819%2927-9-11-28%2812-10-27%2922%2829%2920-14-16-13-17%2826-32%283%2C30%2931%296-7-18%2816%2925-20%2Fh4-8%2C13-15%2C24-26H%2C9-12H2%2C1-3H3,59.0,5.0,11.0,-1.77760004997253,7.0,3.15986180305481,2.18400001525879,2.77999997138977,35.0,64.5218963623047 +InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh9%2C14-15%2C18%2C22%2C26H%2C3-8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1,54.0,4.0,4.0,-1.01269996166229,2.0,1.02556133270264,0.140000000596046,3.22000002861023,29.0,95.4826965332031 +InChI%3D1S%2FC30H53NO11%2Fc1-3-4-9-31-29-7-5-28%286-8-29%2930%2832%2942-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2%2Fh5-8%2C31H%2C3-4%2C9-27H2%2C1-2H3,95.0,31.0,10.0,-2.1003999710083,33.0,4.41168022155762,1.35399997234344,3.44000005722046,42.0,131.113998413086 +InChI%3D1S%2FC40H48N2O6.2HI%2Fc1-41%282%2917-15-27-22-34%2844-6%2936-24-30%2827%2931%2841%2919-25-9-12-29%2813-10-25%2947-40-38-28%2823-37%2845-7%2939%2840%2946-8%2916-18-42%283%2C4%2932%2838%2920-26-11-14-33%2843-5%2935%2821-26%2948-36%3B%3B%2Fh9-14%2C21-24%2C31-32H%2C15-20H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft31-%2C32%2B%3B%3B%2Fm0..%2Fs1,98.0,2.0,15.0,,4.0,,7.81599998474121,4.76000022888184,54.0, +InChI%3D1S%2FC19H32N2O5%2Fc1-4-8-14%2819%2825%2926-5-2%2920-12%283%2917%2822%2921-15-10-7-6-9-13%2815%2911-16%2821%2918%2823%2924%2Fh12-16%2C20H%2C4-11H2%2C1-3H3%2C%28H%2C23%2C24%29%2Ft12-%2C13-%2C14-%2C15-%2C16-%2Fm0%2Fs1,58.0,14.0,3.0,-2.68740010261536,10.0,7.22211885452271,2.57800006866455,2.77999997138977,27.0,85.6710968017578 +InChI%3D1S%2FC11H10O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6%2C12-13H%2C1H3,23.0,0.0,12.0,-0.278600007295609,0.0,0.0776179581880569,2.43600010871887,2.45000004768372,14.0,10.6312999725342 +InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,20.0,4.0,10.0,-0.532000005245209,1.0,0.28302401304245,1.66600000858307,2.00999999046326,11.0,16.4654006958008 +InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2912-9-18-16-6-5-14-13-15%2822%297-10-19%2814%2C2%2917%2816%298-11-20%2818%2C21%293%2Fh1%2C13%2C16-18%2C23H%2C5-12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1,51.0,2.0,4.0,1.33550000190735,0.0,1.78356027603149,3.65599989891052,3.54999995231628,26.0,90.1475982666016 +InChI%3D1S%2FC35H38Cl2N8O4%2Fc1-3-25%282%2945-34%2846%2944%2824-40-45%2929-7-5-27%286-8-29%2941-14-16-42%2817-15-41%2928-9-11-30%2812-10-28%2947-19-31-20-48-35%2849-31%2C21-43-23-38-22-39-43%2932-13-4-26%2836%2918-33%2832%2937%2Fh4-13%2C18%2C22-25%2C31H%2C3%2C14-17%2C19-21H2%2C1-2H3%2Ft25%3F%2C31-%2C35-%2Fm0%2Fs1,89.0,4.0,12.0,-0.161699995398521,11.0,0.0261468905955553,6.25299978256226,3.76999998092651,55.0,99.0497970581055 +InChI%3D1S%2FC19H21NS%2Fc1-20-11-8-15%289-12-20%2919-16-5-3-2-4-14%2816%296-7-18-17%2819%2910-13-21-18%2Fh2-5%2C10%2C13H%2C6-9%2C11-12H2%2C1H3,42.0,0.0,13.0,1.63510000705719,0.0,2.6735520362854,5.17000007629395,3.32999992370605,24.0,51.9118003845215 +InChI%3D1S%2FC8H11NO5S%2Fc1-8%282%296%287%2811%2912%299-4%2810%293-5%289%2915%288%2C13%2914%2Fh5-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,26.0,2.0,3.0,-0.695800006389618,1.0,0.484137654304504,-1.13199996948242,1.57000005245209,16.0,48.1198997497559 +InChI%3D1S%2FC21H26ClNO%2Fc1-21%2817-7-4-3-5-8-17%2C18-10-12-19%2822%2913-11-18%2924-16-14-20-9-6-15-23%2820%292%2Fh3-5%2C7-8%2C10-13%2C20H%2C6%2C9%2C14-16H2%2C1-2H3%2Ft20-%2C21-%2Fm1%2Fs1,50.0,5.0,6.0,-0.0308999996632338,6.0,0.000954810006078333,6.50699996948242,3.44000005722046,26.0,45.4220008850098 +InChI%3D1S%2FC23H23N2S2.HI%2Fc1-3-24-18-12-8-10-14-20%2818%2926-22%2824%2916-6-5-7-17-23-25%284-2%2919-13-9-11-15-21%2819%2927-23%3B%2Fh5-17H%2C3-4H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1,52.0,5.0,13.0,,5.0,,8.15499973297119,3.44000005722046,30.0, +InChI%3D1S%2FC35H42N2O9%2Fc1-40-21-8-9-22-23-11-12-37-18-20-15-29%2846-30%2838%2910-7-19-13-27%2841-2%2933%2843-4%2928%2814-19%2942-3%2934%2844-5%2931%2835%2839%2945-6%2924%2820%2917-26%2837%2932%2823%2936-25%2822%2916-21%2Fh7-10%2C13-14%2C16%2C20%2C24%2C26%2C29%2C31%2C34%2C36H%2C11-12%2C15%2C17-18H2%2C1-6H3%2Fb10-7-%2Ft20%3F%2C24-%2C26%2B%2C29%3F%2C31-%2C34-%2Fm0%2Fs1,87.0,5.0,14.0,-0.0826999992132187,11.0,0.00683928979560733,3.5,4.09999990463257,51.0,110.201301574707 +InChI%3D1S%2FC17H15ClN4S%2Fc1-3-11-8-13-16%2812-6-4-5-7-14%2812%2918%2919-9-15-21-20-10%282%2922%2815%2917%2813%2923-11%2Fh4-8H%2C3%2C9H2%2C1-2H3,38.0,2.0,18.0,0.844500005245209,2.0,0.713180243968964,4.81500005722046,2.67000007629395,26.0,42.1445999145508 +InChI%3D1S%2FC9H8ClN5S%2Fc10-5-1-2-6-8%2815-16-14-6%297%285%2913-9-11-3-4-12-9%2Fh1-2H%2C3-4H2%2C%28H2%2C11%2C12%2C13%29,24.0,0.0,13.0,0.664399981498718,2.0,0.44142735004425,1.56299996376038,1.67999994754791,18.0,33.8464012145996 +InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29%2Ft33-%2C34-%2C36-%2C37-%2C42%2B%2C43%2B%2C44%3F%2C45%3F%2C48-%2C49-%2Fm0%2Fs1,182.0,3.0,11.0,-5.45800018310547,8.0,29.7897644042969,1.51999998092651,5.19999980926514,96.0,289.450012207031 +InChI%3D1S%2FC13H21N3O%2Fc1-3-16%284-2%2910-9-15-13%2817%2911-5-7-12%2814%298-6-11%2Fh5-8H%2C3-4%2C9-10%2C14H2%2C1-2H3%2C%28H%2C15%2C17%29,38.0,10.0,10.0,-0.642899990081787,7.0,0.413320422172546,1.49199998378754,2.45000004768372,17.0,43.9669990539551 +InChI%3D1S%2FC21H26NO3.BrH%2Fc1-4-22%283%2C5-2%2914-15-24-21%2823%2920-16-10-6-8-12-18%2816%2925-19-13-9-7-11-17%2819%2920%3B%2Fh6-13%2C20H%2C4-5%2C14-15H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,52.0,11.0,13.0,,7.0,,5.36299991607666,3.22000002861023,27.0, +InChI%3D1S%2FC25H48N6O8%2Fc1-21%2832%2929%2837%2918-9-3-6-16-27-22%2833%2912-14-25%2836%2931%2839%2920-10-4-7-17-28-23%2834%2911-13-24%2835%2930%2838%2919-8-2-5-15-26%2Fh37-39H%2C2-20%2C26H2%2C1H3%2C%28H%2C27%2C33%29%28H%2C28%2C34%29,87.0,39.0,4.0,-7.02010011672974,26.0,49.2818031311035,-1.32000005245209,2.67000007629395,38.0,128.918395996094 +InChI%3D1S%2FC5H4N4S%2Fc10-5-3-4%287-1-6-3%298-2-9-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29,13.0,0.0,8.0,0.510999977588654,0.0,0.26112100481987,0.36599999666214,1.46000003814697,11.0,8.69159984588623 +InChI%3D1S%2FC13H21N5O4.C6H5NO2%2Fc1-15%284-5-19%296-9%2820%297-18-8-14-11-10%2818%2912%2821%2917%283%2913%2822%2916%2811%292%3B8-6%289%295-2-1-3-7-4-5%2Fh8-9%2C19-20H%2C4-7H2%2C1-3H3%3B1-4H%2C%28H%2C8%2C9%29,57.0,9.0,9.0,-1.58229994773865,7.0,2.50367331504822,,2.23000001907349,32.0,72.3654022216797 +InChI%3D1S%2FC31H46O2%2Fc1-22%282%2912-9-13-23%283%2914-10-15-24%284%2916-11-17-25%285%2920-21-27-26%286%2930%2832%2928-18-7-8-19-29%2828%2931%2827%2933%2Fh7-8%2C18-20%2C22-24H%2C9-17%2C21H2%2C1-6H3%2Fb25-20%2B%2Ft23-%2C24-%2Fm1%2Fs1,79.0,20.0,12.0,2.7425000667572,14.0,7.52130603790283,12.0109996795654,4.65000009536743,34.0,110.625297546387 +InChI%3D1S%2FC42H38O20%2Fc43-11-23-31%2847%2935%2851%2937%2853%2941%2861-23%2959-21-5-1-3-15-25%2817-7-13%2839%2855%2956%299-19%2845%2927%2817%2933%2849%2929%2815%2921%2926-16-4-2-6-22%2860-42-38%2854%2936%2852%2932%2848%2924%2812-44%2962-42%2930%2816%2934%2850%2928-18%2826%298-14%2840%2857%2958%2910-20%2828%2946%2Fh1-10%2C23-26%2C31-32%2C35-38%2C41-48%2C51-54H%2C11-12H2%2C%28H%2C55%2C56%29%28H%2C57%2C58%29%2Ft23-%2C24-%2C25-%2C26-%2C31-%2C32-%2C35%2B%2C36%2B%2C37-%2C38-%2C41-%2C42-%2Fm1%2Fs1,100.0,2.0,19.0,-6.3452000617981,9.0,40.2615623474121,0.662000000476837,3.88000011444092,69.0,107.664199829102 +InChI%3D1S%2FC9H13NO2%2Fc1-2-9%2812-8%2810%2911%296-4-3-5-7-9%2Fh1H%2C3-7H2%2C%28H2%2C10%2C11%29,25.0,4.0,4.0,0.596400022506714,2.0,0.355692952871323,2.34599995613098,2.11999988555908,12.0,37.5332984924316 +InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%2B%2C16%3F%2C17%2B%2C19%2B%2C20%2B%2C21%3F%2C22%2B%2Fm1%2Fs1,57.0,4.0,6.0,-0.944000005722046,2.0,0.89113599061966,1.13800001144409,3.22000002861023,31.0,101.295303344727 +InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,14.0,6.0,0.0,-1.40810000896454,2.0,1.98274564743042,-1.87999999523163,1.46000003814697,5.0,20.5160999298096 +InChI%3D1S%2FC20H25N3O2%2Fc1-3-14%2811-24%2922-20%2825%2913-7-16-15-5-4-6-17-19%2815%2912%289-21-17%298-18%2816%2923%282%2910-13%2Fh4-7%2C9%2C13-14%2C18%2C21%2C24H%2C3%2C8%2C10-11H2%2C1-2H3%2C%28H%2C22%2C25%29%2Ft13-%2C14%2B%2C18-%2Fm1%2Fs1,49.0,8.0,9.0,-0.662899971008301,4.0,0.439436405897141,1.82599997520447,3.10999989509583,28.0,62.1582984924316 +InChI%3D1S%2FC19H24N2S%2Fc1-4-20%285-2%2915%283%2914-21-16-10-6-8-12-18%2816%2922-19-13-9-7-11-17%2819%2921%2Fh6-13%2C15H%2C4-5%2C14H2%2C1-3H3,46.0,8.0,13.0,1.33490002155304,5.0,1.78195798397064,5.30900001525879,3.22000002861023,24.0,47.5792999267578 +InChI%3D1S%2FC18H18ClNS%2Fc1-20%282%2911-5-7-14-15-6-3-4-8-17%2815%2921-18-10-9-13%2819%2912-16%2814%2918%2Fh3-4%2C6-10%2C12H%2C5%2C11H2%2C1-2H3,39.0,6.0,14.0,1.54849994182587,3.0,2.39785218238831,4.95599985122681,3.10999989509583,23.0,44.4227981567383 +InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2913-17-11%287%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6%2C14H%2C12H2%2C1-2H3,31.0,4.0,11.0,-0.75900000333786,3.0,0.576080977916718,1.45799994468689,1.89999997615814,19.0,28.217399597168 +InChI%3D1S%2FC51H79NO13%2Fc1-30-16-12-11-13-17-31%282%2942%2861-8%2928-38-21-19-36%287%2951%2860%2C65-38%2948%2857%2949%2858%2952-23-15-14-18-39%2852%2950%2859%2964-43%2833%284%2926-37-20-22-40%2853%2944%2827-37%2962-9%2929-41%2854%2932%283%2925-35%286%2946%2856%2947%2863-10%2945%2855%2934%285%2924-30%2Fh11-13%2C16-17%2C25%2C30%2C32-34%2C36-40%2C42-44%2C46-47%2C53%2C56%2C60H%2C14-15%2C18-24%2C26-29H2%2C1-10H3%2Fb13-11-%2C16-12-%2C31-17%3F%2C35-25%2B%2Ft30-%2C32-%2C33-%2C34-%2C36-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C42%2B%2C43%2B%2C44-%2C46-%2C47%2B%2C51%3F%2Fm1%2Fs1,144.0,3.0,6.0,-1.14660000801086,6.0,1.3146915435791,4.32100009918213,5.53000020980835,68.0,237.137603759766 +InChI%3D1S%2FC15H17N5O6S2%2Fc1-25-3-6-4-27-13-9%2812%2822%2920%2813%2910%286%2914%2823%2924%2918-11%2821%298%2819-26-2%297-5-28-15%2816%2917-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C16%2C17%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-8%2B%2Ft9-%2C13-%2Fm1%2Fs1,47.0,7.0,8.0,-0.264200001955032,7.0,0.0698016434907913,-0.158999994397163,1.67999994754791,30.0,101.044502258301 +InChI%3D1S%2FC29H36O4%2Fc1-18%2830%2929-25%2832-28%284%2C33-29%2919-8-6-5-7-9-19%2917-24-22-11-10-20-16-21%2831%2912-14-26%2820%2C2%2923%2822%2913-15-27%2824%2C29%293%2Fh5-9%2C16%2C22-25H%2C10-15%2C17H2%2C1-4H3%2Ft22%3F%2C23-%2C24-%2C25%2B%2C26-%2C27-%2C28%2B%2C29%3F%2Fm0%2Fs1,69.0,2.0,6.0,0.234099999070168,2.0,0.0548028089106083,6.33199977874756,4.21000003814697,38.0,100.972801208496 +InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C16-18%2C22H%2C4-12H2%2C2H3%2Ft16-%2C17-%2C18%2B%2C19%2B%2C20%2B%2Fm1%2Fs1,48.0,2.0,2.0,1.00919997692108,0.0,1.01848459243774,2.48000001907349,3.44000005722046,25.0,85.42919921875 +InChI%3D1S%2FC8H17NO%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H2%2C9%2C10%29,27.0,10.0,3.0,-0.188500002026558,5.0,0.0355322510004044,3.14800000190735,2.11999988555908,9.0,38.622200012207 +InChI%3D1S%2FC19H19N3O5S%2Fc1-9-11%2812%2821-27-9%2910-7-5-4-6-8-10%2915%2823%2920-13-16%2824%2922-14%2818%2825%2926%2919%282%2C3%2928-17%2813%2922%2Fh4-8%2C13-14%2C17H%2C1-3H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft13-%2C14%2B%2C17-%2Fm1%2Fs1,47.0,3.0,6.0,0.331900000572205,4.0,0.110157608985901,3.08299994468689,2.55999994277954,31.0,61.8734016418457 +InChI%3D1S%2FC20H27NO3%2Fc1-18-7-6-14-12%2813%2818%293-4-15%2818%2922%295-8-20-17%2824-20%2916%2823%2911%2810-21%299-19%2814%2C20%292%2Fh12-15%2C17%2C22-23H%2C3-9H2%2C1-2H3%2Ft12-%2C13-%2C14%3F%2C15-%2C17%2B%2C18%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,51.0,2.0,5.0,0.166400000452995,0.0,0.0276889596134424,2.64400005340576,3.22000002861023,28.0,86.5641021728516 +InChI%3D1S%2FC20H26N2%2Fc1-16%2814-21%282%293%2915-22-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2922%2Fh4-11%2C16H%2C12-15H2%2C1-3H3,48.0,7.0,13.0,0.512399971485138,4.0,0.262553751468658,5.54099988937378,3.44000005722046,24.0,44.8799018859863 +InChI%3D1S%2FC17H23NO2%2Fc1-4-20-16%2819%2917%2814-10-6-5-7-11-14%2913-9-8-12-15%2817%2918%282%293%2Fh5-8%2C10-12%2C15H%2C4%2C9%2C13H2%2C1-3H3%2Ft15-%2C17%2B%2Fm1%2Fs1,43.0,5.0,6.0,0.84500002861023,5.0,0.714025020599365,4.54500007629395,3.0,21.0,56.2277984619141 +InChI%3D1S%2FC22H22FN3O3%2Fc23-17-7-5-15%286-8-17%2920%2827%2916-9-11-25%2812-10-16%2913-14-26-21%2828%2918-3-1-2-4-19%2818%2924-22%2826%2929%2Fh1-8%2C16H%2C9-14H2%2C%28H%2C24%2C29%29,53.0,2.0,10.0,-1.24230003356934,5.0,1.54330933094025,3.03399991989136,3.10999989509583,32.0,54.1040992736816 +InChI%3D1S%2FC20H14I6N2O6%2Fc21-7-5-9%2823%2917%2815%2825%2913%287%2919%2831%2932%2927-11%2829%293-1-2-4-12%2830%2928-18-10%2824%296-8%2822%2914%2816%2818%2926%2920%2833%2934%2Fh5-6H%2C1-4H2%2C%28H%2C27%2C29%29%28H%2C28%2C30%29%28H%2C31%2C32%29%28H%2C33%2C34%29,48.0,10.0,12.0,7.37139987945557,9.0,54.3375396728516,7.7020001411438,2.11999988555908,35.0,129.990203857422 +InChI%3D1S%2FC14H17N5O3%2Fc1-2-18-8-10%2813%2821%2922%2911%2820%299-7-16-14%2817-12%289%2918%2919-5-3-15-4-6-19%2Fh7-8%2C15H%2C2-6H2%2C1H3%2C%28H%2C21%2C22%29,41.0,2.0,10.0,-0.631600022315979,3.0,0.398918569087982,-0.79799997806549,2.11999988555908,24.0,58.834400177002 +InChI%3D1S%2FC14H30N2O4.2ClH%2Fc1-15%282%2C3%299-11-19-13%2817%297-8-14%2818%2920-12-10-16%284%2C5%296%3B%3B%2Fh7-12H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2,52.0,20.0,3.0,,11.0,,0.280000001192093,2.11999988555908,19.0, +InChI%3D1S%2FC16H19N3O5S%2Fc1-24-9-7-25-15-11%2814%2821%2919%2815%2912%289%2916%2822%2923%2918-13%2820%2910%2817%298-5-3-2-4-6-8%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1,44.0,5.0,9.0,-0.639900028705597,5.0,0.409472018480301,-2.65499997138977,2.23000001907349,27.0,95.0149993896484 +InChI%3D1S%2FC27H30O6%2Fc1-19%282%2913-15-31-22-8-5-21%286-9-22%297-12-25%2828%2924-11-10-23%2832-16-14-20%283%294%2917-26%2824%2933-18-27%2829%2930%2Fh5-14%2C17H%2C15-16%2C18H2%2C1-4H3%2C%28H%2C29%2C30%29,63.0,6.0,19.0,2.3289999961853,12.0,5.424241065979,5.67600011825562,3.76999998092651,34.0,81.8579025268555 +InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3,65.0,8.0,24.0,1.21589994430542,10.0,1.47841286659241,8.41899967193604,3.88000011444092,36.0,57.062801361084 +InChI%3D1S%2FC17H19N5%2Fc1-16%282%2C9-18%2914-5-13%288-22-12-20-11-21-22%296-15%287-14%2917%283%2C4%2910-19%2Fh5-7%2C11-12H%2C8H2%2C1-4H3,41.0,5.0,6.0,1.92260003089905,4.0,3.69639086723328,1.88499999046326,2.77999997138977,23.0,47.2568016052246 +InChI%3D1S%2FC26H27NO10%2Fc1-9-21%2830%2913%2827%296-16%2836-9%2937-15-8-26%2835%2C10%282%2928%297-12-18%2815%2925%2834%2920-19%2823%2812%2932%2922%2831%2911-4-3-5-14%2829%2917%2811%2924%2820%2933%2Fh3-5%2C9%2C13%2C15-16%2C21%2C29-30%2C32%2C34-35H%2C6-8%2C27H2%2C1-2H3%2Ft9-%2C13-%2C15-%2C16-%2C21%2B%2C26-%2Fm0%2Fs1,64.0,2.0,19.0,-4.15530014038086,3.0,17.2665176391602,-1.5900000333786,3.10999989509583,41.0,78.8345031738281 +InChI%3D1S%2FC7H13BrN2O2%2Fc1-3-7%288%2C4-2%295%2811%2910-6%289%2912%2Fh3-4H2%2C1-2H3%2C%28H3%2C9%2C10%2C11%2C12%29,25.0,12.0,6.0,-0.160500004887581,4.0,0.0257602501660585,1.60300004482269,1.67999994754791,11.0,45.2765998840332 +InChI%3D1S%2FC20H30O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C21H%2C7%2C10%2C14-15H2%2C1-5H3,51.0,12.0,10.0,3.78489995002747,5.0,14.3254680633545,6.15799999237061,3.54999995231628,21.0,96.7628021240234 +InChI%3D1S%2FC21H27NO%2Fc23-21%2819-11-4-1-5-12-19%2C20-13-6-2-7-14-20%2915-10-18-22-16-8-3-9-17-22%2Fh1-2%2C4-7%2C11-14%2C23H%2C3%2C8-10%2C15-18H2,50.0,5.0,6.0,-1.59360003471375,6.0,2.5395610332489,6.7810001373291,3.54999995231628,25.0,38.0004005432129 +InChI%3D1S%2FC22H26NO3.BrH%2Fc1-23-14-12-17%2813-15-23%2920%2816-23%2926-21%2824%2922%2825%2C18-8-4-2-5-9-18%2919-10-6-3-7-11-19%3B%2Fh2-11%2C17%2C20%2C25H%2C12-16H2%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,53.0,5.0,6.0,,5.0,,5.88700008392334,3.32999992370605,29.0, +InChI%3D1S%2FC21H26N2S2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2824-2%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3,51.0,2.0,13.0,0.232999995350838,4.0,0.0542889982461929,5.62900018692017,3.32999992370605,28.0,57.2450981140137 +InChI%3D1S%2FC10H12ClN3O3S%2Fc1-2-9-13-7-4-6%2811%298%2818%2812%2C16%2917%293-5%287%2910%2815%2914-9%2Fh3-4%2C9%2C13H%2C2H2%2C1H3%2C%28H%2C14%2C15%29%28H2%2C12%2C16%2C17%29,30.0,3.0,14.0,-1.35380005836487,2.0,1.83277440071106,0.592000007629395,1.67999994754791,19.0,40.5528984069824 +InChI%3D1S%2FC15H23N3O3S%2Fc1-15%282%2911%2814%2820%2921%2918-12%2819%2910%2813%2818%2922-15%2916-9-17-7-5-3-4-6-8-17%2Fh9-11%2C13H%2C3-8H2%2C1-2H3%2C%28H%2C20%2C21%29%2Fb16-9%2B%2Ft10-%2C11%2B%2C13-%2Fm1%2Fs1,45.0,2.0,3.0,-1.54620003700256,3.0,2.39073443412781,1.43499994277954,2.33999991416931,24.0,77.1671981811523 +InChI%3D1S%2FC20H30O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh12%2C15-18%2C22H%2C3-11H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1,52.0,2.0,4.0,-0.0511999987065792,1.0,0.00262143998406827,3.99799990653992,3.44000005722046,25.0,85.4602966308594 +InChI%3D1S%2FC18H19N3O3S.C4H4O4%2Fc1-21%2816-4-2-3-9-19-16%2910-11-24-14-7-5-13%286-8-14%2912-15-17%2822%2920-18%2823%2925-15%3B5-3%286%291-2-4%287%298%2Fh2-9%2C15H%2C10-12H2%2C1H3%2C%28H%2C20%2C22%2C23%29%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1%2B,56.0,8.0,8.0,-0.0776000022888184,9.0,0.00602175993844867,,2.67000007629395,34.0,73.4458999633789 +InChI%3D1S%2FC16H22FNO%2Fc1-13-8-11-18%2812-9-13%2910-2-3-16%2819%2914-4-6-15%2817%297-5-14%2Fh4-7%2C13H%2C2-3%2C8-12H2%2C1H3,41.0,5.0,8.0,-0.43189999461174,5.0,0.186537608504295,3.67000007629395,2.89000010490417,20.0,45.0723991394043 +InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh6%2C8%2C10%2C16-18%2C20%2C26%2C28H%2C4-5%2C7%2C9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20%2B%2C21-%2C22-%2C23-%2Fm0%2Fs1,59.0,7.0,6.0,-0.47859999537468,4.0,0.22905795276165,1.33200001716614,3.32999992370605,32.0,106.347099304199 +InChI%3D1S%2FC7H6ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-3H%2C%28H%2C10%2C11%29%28H2%2C9%2C12%2C13%29,23.0,3.0,16.0,-1.1628999710083,1.0,1.35233640670776,-0.725000023841858,1.12999999523163,18.0,35.4497985839844 +InChI%3D1S%2FC18H23N9O4S3%2Fc1-25%282%293-4-26-18%2822-23-24-26%2934-7-9-6-32-15-12%2814%2829%2927%2815%2913%289%2916%2830%2931%2921-11%2828%295-10-8-33-17%2819%2920-10%2Fh8%2C12%2C15H%2C3-7H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C28%29%28H%2C30%2C31%29%2Ft12-%2C15-%2Fm1%2Fs1,59.0,5.0,8.0,0.931299984455109,10.0,0.867319703102112,-0.474000006914139,1.67999994754791,37.0,118.841400146484 +InChI%3D1S%2FC10H17NO2%2Fc1-4-10%285-2%298%2812%297%283%296-11-9%2810%2913%2Fh7H%2C4-6H2%2C1-3H3%2C%28H%2C11%2C13%29,30.0,2.0,3.0,-0.0192000009119511,2.0,0.00036864000139758,1.56900000572205,2.23000001907349,13.0,51.0233993530273 +InChI%3D1S%2FC20H24N2O2%2Fc1-3-13-12-22-9-7-14%2813%2910-19%2822%2920%2823%2916-6-8-21-18-5-4-15%2824-2%2911-17%2816%2918%2Fh3-6%2C8%2C11%2C13-14%2C19-20%2C23H%2C1%2C7%2C9-10%2C12H2%2C2H3%2Ft13-%2C14%3F%2C19%2B%2C20-%2Fm0%2Fs1,48.0,2.0,11.0,-0.513599991798401,4.0,0.263784974813461,2.66199994087219,3.22000002861023,27.0,52.1147994995117 +InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%3F%2Fm1%2Fs1,82.0,4.0,9.0,0.485100001096725,5.0,0.235322013497353,3.7590000629425,3.76999998092651,49.0,126.259002685547 +InChI%3D1S%2FC8H11Cl3O6%2Fc9-8%2810%2C11%297-16-5-3%2814%294%282%2813%291-12%2915-6%285%2917-7%2Fh2-7%2C12-14H%2C1H2%2Ft2-%2C3%3F%2C4-%2C5-%2C6-%2C7-%2Fm1%2Fs1,28.0,4.0,0.0,-0.0806000009179115,3.0,0.00649636005982757,-0.145999997854233,1.35000002384186,18.0,58.1488990783691 +InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C23H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,42.0,4.0,28.0,-1.63660001754761,6.0,2.67845964431763,4.29099988937378,2.33999991416931,30.0,20.925500869751 +InChI%3D1S%2FC16H38N2.2BrH%2Fc1-17%282%2C3%2915-13-11-9-7-8-10-12-14-16-18%284%2C5%296%3B%3B%2Fh7-16H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2,58.0,18.0,0.0,,11.0,,4.94199991226196,2.77999997138977,17.0, +InChI%3D1S%2FC19H18ClN3O5S%2Fc1-8-11%2812%2822-28-8%299-6-4-5-7-10%289%2920%2915%2824%2921-13-16%2825%2923-14%2818%2826%2927%2919%282%2C3%2929-17%2813%2923%2Fh4-7%2C13-14%2C17H%2C1-3H3%2C%28H%2C21%2C24%29%28H%2C26%2C27%29%2Ft13-%2C14%2B%2C17-%2Fm0%2Fs1,47.0,3.0,6.0,1.07620000839233,4.0,1.15820646286011,2.75699996948242,2.45000004768372,32.0,67.4889984130859 +InChI%3D1S%2FC21H31N5O2%2Fc27-18-16-21%286-1-2-7-21%2917-19%2828%2926%2818%2911-4-3-10-24-12-14-25%2815-13-24%2920-22-8-5-9-23-20%2Fh5%2C8-9H%2C1-4%2C6-7%2C10-17H2,59.0,4.0,7.0,-1.98969995975494,6.0,3.95890617370605,2.15400004386902,3.0,31.0,79.5483016967773 +InChI%3D1S%2FC16H19ClN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3,38.0,6.0,6.0,0.651400029659271,5.0,0.424321949481964,4.28800010681152,2.89000010490417,20.0,31.1037006378174 +InChI%3D1S%2FC17H20F6N2O3%2Fc18-16%2819%2C20%299-27-12-4-5-14%2828-10-17%2821%2C22%2923%2913%287-12%2915%2826%2925-8-11-3-1-2-6-24-11%2Fh4-5%2C7%2C11%2C24H%2C1-3%2C6%2C8-10H2%2C%28H%2C25%2C26%29,48.0,6.0,11.0,0.293799996376038,9.0,0.0863184407353401,4.71799993515015,2.11999988555908,29.0,58.6785011291504 +InChI%3D1S%2FC22H23F4NO2%2Fc23-19-8-6-16%287-9-19%2920%2828%295-2-12-27-13-10-21%2829%2C11-14-27%2917-3-1-4-18%2815-17%2922%2824%2C25%2926%2Fh1%2C3-4%2C6-9%2C15%2C29H%2C2%2C5%2C10-14H2,52.0,5.0,8.0,-0.212400004267693,7.0,0.0451137609779835,5.72599983215332,3.10999989509583,31.0,47.839298248291 +InChI%3D1S%2FC19H21N3O5%2Fc1-9%282%2926-19%2824%2915-11%284%2920-10%283%2914%2818%2823%2925-5%2916%2815%2912-7-6-8-13-17%2812%2922-27-21-13%2Fh6-9%2C16%2C20H%2C1-5H3,48.0,6.0,11.0,-0.0063999998383224,6.0,4.09599997510668e-05,3.70300006866455,2.67000007629395,29.0,70.3593978881836 +InChI%3D1S%2FC12H14N4O3S%2Fc1-2-16-8-7-11%2814-12%2816%2917%2915-20%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-8H%2C2%2C13H2%2C1H3%2C%28H%2C14%2C15%2C17%29,38.0,4.0,11.0,-2.10560011863708,4.0,4.43355131149292,1.125,1.89999997615814,21.0,46.0980987548828 +InChI%3D1S%2FC18H19ClN4%2Fc1-22-8-10-23%2811-9-22%2918-14-4-2-3-5-15%2814%2920-16-7-6-13%2819%2912-17%2816%2921-18%2Fh2-7%2C12%2C20H%2C8-11H2%2C1H3,42.0,0.0,16.0,0.00920000020414591,1.0,8.46399998408742e-05,4.32299995422363,2.89000010490417,26.0,45.0577011108398 +InChI%3D1S%2FC4H3IN2OS%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,12.0,0.0,7.0,1.4708000421524,0.0,2.16325259208679,1.06299996376038,1.35000002384186,9.0,25.2024002075195 +InChI%3D1S%2FC33H49NO10S.Na%2Fc1-21-17-23-24-12-14-33%2840%2C32%2824%2C3%2919-26%2836%2930%2823%2931%282%2913-11-22%2835%2918-25%2821%2931%2927%2837%2920-44-29%2839%2910-8-6-5-7-9-28%2838%2934%284%2915-16-45%2841%2C42%2943%3B%2Fh11%2C13%2C18%2C21%2C23-24%2C26%2C30%2C36%2C40H%2C5-10%2C12%2C14-17%2C19-20H2%2C1-4H3%2C%28H%2C41%2C42%2C43%29%3B%2Fq%3B%2B1%2Fp-1%2Ft21-%2C23-%2C24-%2C26-%2C30%2B%2C31-%2C32%3F%2C33-%3B%2Fm0.%2Fs1,94.0,22.0,6.0,,15.0,,1.87999999523163,3.66000008583069,48.0, +InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%2Ft18-%2C22-%2Fm0%2Fs1,57.0,14.0,6.0,-0.456999987363815,9.0,0.208848997950554,8.5939998626709,3.66000008583069,27.0,54.9981994628906 +InChI%3D1S%2FC16H21NO2%2Fc1-12%282%2917-10-14%2818%2911-19-16-9-5-7-13-6-3-4-8-15%2813%2916%2Fh3-9%2C12%2C14%2C17-18H%2C10-11H2%2C1-2H3,40.0,9.0,11.0,-1.00979995727539,6.0,1.01969599723816,4.05299997329712,2.89000010490417,20.0,35.5013008117676 +InChI%3D1S%2FC25H27ClN2%2Fc1-20-6-5-7-21%2818-20%2919-27-14-16-28%2817-15-27%2925%2822-8-3-2-4-9-22%2923-10-12-24%2826%2913-11-23%2Fh2-13%2C18%2C25H%2C14-17%2C19H2%2C1H3,55.0,0.0,6.0,1.42030000686646,5.0,2.01725220680237,8.25300025939941,3.88000011444092,31.0,43.8726005554199 +InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,28.0,0.0,0.0,-1.5786999464035,0.0,2.4922935962677,2.31200003623962,2.45000004768372,13.0,44.1259002685547 +InChI%3D1S%2FC17H21NO%2Fc1-18%282%2912-13-19-17-11-7-6-10-16%2817%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3,40.0,6.0,7.0,0.543099999427795,6.0,0.294957607984543,6.00400018692017,3.10999989509583,20.0,29.9358997344971 +InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,12.0,0.0,8.0,-0.4408999979496,0.0,0.194392815232277,-0.503000020980835,1.35000002384186,9.0,6.00169992446899 +InChI%3D1S%2FC10H17N3O6S%2Fc11-5%2810%2818%2919%291-2-7%2814%2913-6%284-20%299%2817%2912-3-8%2815%2916%2Fh5-6%2C20H%2C1-4%2C11H2%2C%28H%2C12%2C17%29%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C18%2C19%29%2Ft5-%2C6-%2Fm0%2Fs1,37.0,20.0,3.0,-1.63929998874664,9.0,2.68730449676514,-3.9779999256134,1.46000003814697,19.0,67.6856994628906 +InChI%3D1S%2FC17H14ClFN2O3%2Fc18-10-5-6-14-12%289-10%2915%2811-3-1-2-4-13%2811%2919%2920-16%2823%2917%2824%2921%2814%297-8-22%2Fh1-6%2C9%2C16%2C22-23H%2C7-8H2,38.0,3.0,17.0,-0.276199996471405,3.0,0.0762864425778389,2.74799990653992,2.55999994277954,26.0,38.2821006774902 +InChI%3D1S%2FC11H18N2O2S%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,34.0,5.0,8.0,-0.0722000002861023,4.0,0.00521284015849233,2.61400008201599,2.11999988555908,16.0,64.2546997070312 +InChI%3D1S%2FC17H18F3NO%2Fc1-21-12-11-16%2813-5-3-2-4-6-13%2922-15-9-7-14%288-10-15%2917%2818%2C19%2920%2Fh2-10%2C16%2C21H%2C11-12H2%2C1H3,40.0,6.0,7.0,0.299100011587143,7.0,0.08946081250906,6.38299989700317,2.77999997138977,23.0,28.0720996856689 +InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3,24.0,0.0,6.0,-0.431100010871887,0.0,0.185847207903862,-0.625,1.67999994754791,15.0,34.872200012207 +InChI%3D1S%2FC27H36O7%2Fc1-6-23%2832%2934-27%2822%2831%2914-33-16%283%2928%2910-8-19-18-11-15%282%2920-12-17%2829%297-9-25%2820%2C4%2924%2818%2921%2830%2913-26%2819%2C27%295%2Fh7%2C9%2C12%2C15%2C18-19%2C21%2C24%2C30H%2C6%2C8%2C10-11%2C13-14H2%2C1-5H3%2Ft15-%2C18-%2C19%3F%2C21%2B%2C24%3F%2C25-%2C26-%2C27-%2Fm0%2Fs1,70.0,7.0,6.0,-0.145500004291534,7.0,0.0211702492088079,2.8289999961853,3.66000008583069,37.0,124.605598449707 +InChI%3D1S%2FC6H12F2N2O2%2Fc7-4%288%296%2810%2C5%2811%2912%292-1-3-9%2Fh4H%2C1-3%2C9-10H2%2C%28H%2C11%2C12%29,24.0,12.0,3.0,-1.44149994850159,5.0,2.07792234420776,-2.71099996566772,1.46000003814697,11.0,35.5870018005371 +InChI%3D1S%2FC28H28N2O2%2Fc29-22-28%2824-12-6-2-7-13-24%2C25-14-8-3-9-15-25%2918-21-30-19-16-27%2817-20-30%2C26%2831%2932%2923-10-4-1-5-11-23%2Fh1-15H%2C16-21H2%2C%28H%2C31%2C32%29,60.0,5.0,6.0,-0.129899993538857,7.0,0.0168740097433329,9.4040002822876,4.09999990463257,35.0,49.048900604248 +InChI%3D1S%2FC23H28N2O3%2Fc1-16-13-19-20%2825-16%2911-8-12-21%2819%2927-15-18%2814-24-23%282%2C3%294%2928-22%2826%2917-9-6-5-7-10-17%2Fh5-13%2C18%2C24-25H%2C14-15H2%2C1-4H3,55.0,12.0,9.0,0.78030002117157,9.0,0.608868062496185,6.13199996948242,3.44000005722046,30.0,49.2661018371582 +InChI%3D1S%2FC18H23NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-13%2C17%2C20H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%2B%2C13%3F%2C17-%2C18-%2Fm0%2Fs1,45.0,2.0,8.0,-1.08060002326965,1.0,1.16769635677338,1.56900000572205,3.0,26.0,57.1040000915527 +InChI%3D1S%2FC22H27ClO3%2Fc1-11%2824%2922%2826%297-5-14-12-9-18%2823%2917-10-19%2825%2913-8-16%2813%2921%2817%2C3%2915%2812%294-6-20%2814%2C22%292%2Fh9-10%2C12-16%2C26H%2C4-8H2%2C1-3H3%2Ft12%3F%2C13%3F%2C14-%2C15-%2C16-%2C20-%2C21-%2C22-%2Fm0%2Fs1,53.0,2.0,6.0,0.893199980258942,1.0,0.79780626296997,2.54200005531311,3.44000005722046,30.0,102.286796569824 +InChI%3D1S%2FC26H34FNO5%2Fc1-15%282%2925-21%2811-10-19%2829%2912-20%2830%2913-23%2831%2932%2924%2817-6-8-18%2827%299-7-17%2922%2814-33-5%2926%2828-25%2916%283%294%2Fh6-11%2C15-16%2C19-20%2C29-30H%2C12-14H2%2C1-5H3%2C%28H%2C31%2C32%29%2Fb11-10-%2Ft19-%2C20-%2Fm1%2Fs1,67.0,11.0,14.0,0.538699984550476,11.0,0.29019770026207,4.41200017929077,3.54999995231628,34.0,78.3598022460938 +InChI%3D1S%2FC15H10O2%2Fc16-14-11-8-4-5-9-12%2811%2915%2817%2913%2814%2910-6-2-1-3-7-10%2Fh1-9%2C13H,27.0,0.0,10.0,-0.672299981117249,1.0,0.45198729634285,4.62400007247925,2.89000010490417,19.0,14.3135995864868 +InChI%3D1S%2FC4H11NO%2Fc1-5%282%293-4-6%2Fh6H%2C3-4H2%2C1-2H3,17.0,6.0,0.0,-0.219300001859665,2.0,0.0480924881994724,-0.646000027656555,1.67999994754791,5.0,26.2803993225098 +InChI%3D1S%2FC9H9Cl2NO2%2Fc1-12%289%2814%298%2810%2911%296-2-4-7%2813%295-3-6%2Fh2-5%2C8%2C13H%2C1H3,23.0,7.0,10.0,0.212200000882149,3.0,0.0450288392603397,1.87199997901917,1.89999997615814,14.0,31.1030006408691 +InChI%3D1S%2FC17H20ClNO%2Fc1-19%282%2913-12-17%2820%2C14-8-4-3-5-9-14%2915-10-6-7-11-16%2815%2918%2Fh3-11%2C20H%2C12-13H2%2C1-2H3,40.0,7.0,6.0,-0.0595000013709068,5.0,0.00354025000706315,5.23299980163574,3.0,21.0,32.3983993530273 +InChI%3D1S%2FC12H19N2O2%2Fc1-13%282%2912%2815%2916-11-8-6-7-10%289-11%2914%283%2C4%295%2Fh6-9H%2C1-5H3%2Fq%2B1,35.0,6.0,11.0,-1.01639997959137,4.0,1.03306901454926,1.76300001144409,2.33999991416931,16.0,37.2762985229492 +InChI%3D1S%2FC7H10N2O2S%2Fc1-3-11-7%2810%299-5-4-8%282%296%289%2912%2Fh4-5H%2C3H2%2C1-2H3,24.0,5.0,7.0,1.17690002918243,3.0,1.38509356975555,0.941999971866608,1.67999994754791,12.0,49.3378982543945 +InChI%3D1S%2FC10H13NO3%2Fc1-10%2811%2C9%2813%2914%296-7-2-4-8%2812%295-3-7%2Fh2-5%2C12H%2C6%2C11H2%2C1H3%2C%28H%2C13%2C14%29%2Ft10-%2Fm0%2Fs1,27.0,7.0,7.0,-0.974200010299683,3.0,0.949065625667572,-1.46700000762939,2.11999988555908,14.0,26.7961006164551 +InChI%3D1S%2FC7H9ClO%2Fc1-3-7%289%2C4-2%295-6-8%2Fh1%2C5-6%2C9H%2C4H2%2C2H3,18.0,9.0,2.0,0.545300006866455,2.0,0.297352075576782,1.83000004291534,2.00999999046326,8.0,36.3908996582031 +InChI%3D1S%2FC5H8N4O12%2Fc10-6%2811%2918-1-5%282-19-7%2812%2913%2C3-20-8%2814%2915%294-21-9%2816%2917%2Fh1-4H2,29.0,21.0,4.0,-0.380199998617172,12.0,0.144552037119865,1.3860000371933,0.25,20.0,38.4132995605469 +InChI%3D1S%2FC16H18N4O2%2Fc21-15%2818-12-13-4-2-1-3-5-13%298-11-19-20-16%2822%2914-6-9-17-10-7-14%2Fh1-7%2C9-10%2C19H%2C8%2C11-12H2%2C%28H%2C18%2C21%29%28H%2C20%2C22%29,40.0,10.0,10.0,-1.30299997329712,8.0,1.69780898094177,3.45900011062622,2.55999994277954,23.0,33.0046997070312 +InChI%3D1S%2FC14H16N2O6S3.2Na%2Fc17-23%2818%299-15-11-1-5-13%286-2-11%2925%2821%2C22%2914-7-3-12%284-8-14%2916-10-24%2819%2920%3B%3B%2Fh1-8%2C15-16H%2C9-10H2%2C%28H%2C17%2C18%29%28H%2C19%2C20%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,41.0,5.0,17.0,,8.0,,-2.67899990081787,1.57000005245209,26.0, +InChI%3D1S%2FC5H9NO3S%2Fc1-3%2810%295%289%296-2-4%287%298%2Fh3%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29,19.0,10.0,3.0,-0.118000000715256,3.0,0.0139239998534322,-0.398999989032745,1.46000003814697,9.0,38.1707992553711 +InChI%3D1S%2FC11H15NO5%2Fc1-15-9-4-2-3-5-10%289%2916-6-8%2813%297-17-11%2812%2914%2Fh2-5%2C8%2C13H%2C6-7H2%2C1H3%2C%28H2%2C12%2C14%29,32.0,9.0,8.0,-0.224199995398521,7.0,0.0502656400203705,1.52300000190735,2.00999999046326,17.0,34.1495018005371 +InChI%3D1S%2FC19H37N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh3%2C9-18%2C24-27H%2C4-7%2C20-23H2%2C1-2H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%2B%2C15%3F%2C16%2B%2C17%3F%2C18%2B%2C19-%2Fm0%2Fs1,68.0,2.0,3.0,-5.28739976882935,6.0,27.9565982818604,-3.62800002098083,2.23000001907349,33.0,108.063102722168 +InChI%3D1S%2FC9H5ClINO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H,18.0,0.0,11.0,1.70410001277924,0.0,2.9039568901062,2.58400011062622,2.00999999046326,14.0,22.1263999938965 +InChI%3D1S%2FC16H20N4O2.2H2O%2Fc1-5-6-11-14%2821%2919-13-9-10%282%297-8-12%2813%2917-16%2818%283%294%2920%2819%2915%2811%2922%3B%3B%2Fh7-9%2C11H%2C5-6H2%2C1-4H3%3B2%2A1H2,50.0,3.0,13.0,-0.23759999871254,3.0,0.0564537607133389,,2.33999991416931,24.0,58.2481002807617 +InChI%3D1S%2FC15H17NS2%2Fc1-16-8-2-5-12%2811-16%2915%2813-6-3-9-17-13%2914-7-4-10-18-14%2Fh3-4%2C6-7%2C9-10H%2C2%2C5%2C8%2C11H2%2C1H3,35.0,0.0,12.0,1.17089998722076,2.0,1.37100684642792,3.54299998283386,2.77999997138977,20.0,49.2615013122559 +InChI%3D1S%2FC14H18N4O3%2Fc1-19-10-5-8%286-11%2820-2%2912%2810%2921-3%294-9-7-17-14%2816%2918-13%289%2915%2Fh5-7H%2C4H2%2C1-3H3%2C%28H4%2C15%2C16%2C17%2C18%29,41.0,2.0,9.0,-0.402099996805191,5.0,0.161684408783913,1.72599995136261,2.23000001907349,22.0,52.4341011047363 +InChI%3D1S%2FC16H15F2N3O4S%2Fc1-23-13-5-6-19-12%2814%2813%2924-2%298-26%2822%2916-20-10-4-3-9%2825-15%2817%2918%297-11%2810%2921-16%2Fh3-7%2C15H%2C8H2%2C1-2H3%2C%28H%2C20%2C21%29,40.0,4.0,9.0,0.156900003552437,7.0,0.0246176104992628,1.14400005340576,2.11999988555908,28.0,35.8306007385254 +InChI%3D1S%2FC11H9FN2O3%2Fc12-6-1-2-8-7%285-6%2911%283-4-17-8%299%2815%2913-10%2816%2914-11%2Fh1-2%2C5H%2C3-4H2%2C%28H2%2C13%2C14%2C15%2C16%29%2Ft11-%2Fm0%2Fs1,26.0,0.0,7.0,-0.526700019836426,0.0,0.277412891387939,0.976000010967255,2.00999999046326,19.0,29.1723003387451 +InChI%3D1S%2FC11H13N%2Fc1-3-9-12%282%2910-11-7-5-4-6-8-11%2Fh1%2C4-8H%2C9-10H2%2C2H3,25.0,6.0,6.0,0.903599977493286,3.0,0.816492974758148,3.23900008201599,2.55999994277954,12.0,25.7833003997803 +InChI%3D1S%2FC21H25NO3%2Fc1-12-6-7-21%2824%2916-10-14-4-5-15%2823%2918-17%2814%2920%2821%2C19%2812%2925-18%298-9-22%2816%2911-13-2-3-13%2Fh4-5%2C13%2C16%2C19%2C23-24H%2C1-3%2C6-11H2%2Ft16-%2C19%2B%2C20%2B%2C21%3F%2Fm1%2Fs1,50.0,0.0,8.0,-0.44080001115799,2.0,0.194304645061493,1.55400002002716,3.32999992370605,30.0,70.0578994750977 +InChI%3D1S%2FC15H19N5%2Fc1-19%282%296-5-13-8-17-15-4-3-12%287-14%2813%2915%299-20-11-16-10-18-20%2Fh3-4%2C7-8%2C10-11%2C17H%2C5-6%2C9H2%2C1-2H3,38.0,5.0,7.0,0.509800016880035,5.0,0.259896039962769,1.46099996566772,2.55999994277954,22.0,31.0655994415283 +InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2814-12%2815-11%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,35.0,4.0,19.0,-1.78999996185303,5.0,3.20409989356995,0.851999998092651,1.78999996185303,22.0,29.9953002929688 +InChI%3D1S%2FC21H27N3O2%2Fc1-4-15%2812-25%2922-21%2826%2914-8-17-16-6-5-7-18-20%2816%2913%2810-23%2818%292%299-19%2817%2924%283%2911-14%2Fh5-8%2C10%2C14-15%2C19%2C25H%2C4%2C9%2C11-12H2%2C1-3H3%2C%28H%2C22%2C26%29%2Ft14-%2C15%2B%2C19-%2Fm1%2Fs1,53.0,8.0,9.0,-0.547399997711182,4.0,0.299646764993668,1.95299994945526,3.22000002861023,29.0,70.7529983520508 +InChI%3D1S%2FC14H14N8O4S3%2Fc1-6-17-18-14%2829-6%2928-4-7-3-27-12-9%2811%2824%2922%2812%2910%287%2913%2825%2926%2916-8%2823%292-21-5-15-19-20-21%2Fh5%2C9%2C12H%2C2-4H2%2C1H3%2C%28H%2C16%2C23%29%28H%2C25%2C26%29%2Ft9-%2C12-%2Fm1%2Fs1,43.0,4.0,8.0,0.501999974250793,7.0,0.252003997564316,-0.851000010967255,1.35000002384186,32.0,84.2273025512695 +InChI%3D1S%2FC22H22FN3O2%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-11H%2C3%2C6%2C12-15H2%2C%28H%2C24%2C28%29,50.0,5.0,10.0,-0.703400015830994,6.0,0.49477156996727,4.56799983978271,3.22000002861023,31.0,48.7344017028809 +InChI%3D1S%2FC5H9Cl2N3O2%2Fc6-1-3-8-5%2811%2910%289-12%294-2-7%2Fh1-4H2%2C%28H%2C8%2C11%29,21.0,12.0,6.0,1.63380002975464,6.0,2.66930246353149,1.18299996852875,1.24000000953674,11.0,47.0278015136719 +InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%2B%2C15-%2Fm1%2Fs1,42.0,5.0,10.0,-1.33819997310638,4.0,1.79077923297882,-0.252000004053116,2.11999988555908,27.0,81.9337005615234 +InChI%3D1S%2FC9H16ClN3O2%2Fc10-6-7-13%2812-15%299%2814%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C14%29,31.0,9.0,6.0,-0.512000024318695,5.0,0.26214399933815,2.31200003623962,1.78999996185303,15.0,50.0371017456055 +InChI%3D1S%2FC42H53NO15%2Fc1-8-42%2851%2917-28%2833-22%2835%2842%2941%2850%2952-7%2914-23-34%2838%2833%2949%2937%2848%2932-21%2836%2823%2947%2910-9-11-26%2832%2945%2956-30-15-24%2843%285%296%2939%2819%283%2954-30%2958-31-16-27%2846%2940%2820%284%2955-31%2957-29-13-12-25%2844%2918%282%2953-29%2Fh9-11%2C14%2C18-20%2C24%2C27-31%2C35%2C39-40%2C45-46%2C49%2C51H%2C8%2C12-13%2C15-17H2%2C1-7H3%2Ft18-%2C19-%2C20-%2C24-%2C27-%2C28-%2C29-%2C30-%2C31-%2C35-%2C39%2B%2C40%2B%2C42%2B%2Fm0%2Fs1,111.0,4.0,18.0,-4.52750015258789,10.0,20.4982566833496,1.1710000038147,4.32000017166138,64.0,149.098205566406 +InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,38.0,7.0,7.0,1.11759996414185,9.0,1.24902975559235,4.29199981689453,2.45000004768372,19.0,52.5234985351562 +InChI%3D1S%2FC40H71NO14%2Fc1-15-27-40%2811%2C48%2933%2844%2922%285%2930%2843%2920%283%2918-38%289%2C47%2935%2855-37-32%2853-28%2842%2916-2%2926%2841%2812%2913%2917-21%284%2950-37%2923%286%2931%2824%287%2936%2846%2952-27%2954-29-19-39%2810%2C49-14%2934%2845%2925%288%2951-29%2Fh20-27%2C29%2C31-35%2C37%2C44-45%2C47-48H%2C15-19H2%2C1-14H3%2Ft20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2C29%2B%2C31%2B%2C32%3F%2C33-%2C34%2B%2C35-%2C37%2B%2C38-%2C39-%2C40-%2Fm1%2Fs1,126.0,5.0,3.0,-2.00679993629456,10.0,4.02724647521973,2.1340000629425,4.21000003814697,57.0,195.655807495117 +InChI%3D1S%2FC17H23NO%2Fc1-18-9-8-17-7-3-2-4-14%2817%2916%2818%2910-12-5-6-13%2819%2911-15%2812%2917%2Fh5-6%2C11%2C14%2C16%2C19H%2C2-4%2C7-10H2%2C1H3%2Ft14-%2C16%2B%2C17%3F%2Fm0%2Fs1,42.0,0.0,7.0,-0.99949997663498,0.0,0.999000251293182,3.68799996376038,3.10999989509583,22.0,49.1502990722656 +InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,32.0,5.0,8.0,-0.446099996566772,3.0,0.199005216360092,2.47300004959106,2.11999988555908,16.0,57.8773002624512 +InChI%3D1S%2FC4H6O6%2Fc5-1%283%287%298%292%286%294%289%2910%2Fh1-2%2C5-6H%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,16.0,10.0,3.0,-1.71440005302429,3.0,2.93916726112366,-2.23799991607666,1.24000000953674,9.0,26.213399887085 +InChI%3D1S%2FC8H9FN2O3.C4H4N2O2%2Fc9-5-4-11%286-2-1-3-14-6%298%2813%2910-7%285%2912%3B7-3-1-2-5-4%288%296-3%2Fh4%2C6H%2C1-3H2%2C%28H%2C10%2C12%2C13%29%3B1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,39.0,0.0,8.0,-2.02180004119873,1.0,4.08767509460449,,1.67999994754791,23.0,45.1285018920898 +InChI%3D1S%2FC15H15ClN2O4S%2Fc1-8-4-3-5-9%282%2914%288%2918-15%2820%2910-6-13%2823%2817%2C21%2922%2911%2816%297-12%2810%2919%2Fh3-7%2C19H%2C1-2H3%2C%28H%2C18%2C20%29%28H2%2C17%2C21%2C22%29,38.0,3.0,20.0,0.549899995326996,3.0,0.30239000916481,2.82299995422363,2.23000001907349,24.0,38.8023986816406 +InChI%3D1S%2FC41H64O8%2Fc1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36%2845%2949-29-37%2846%2948-28-35%2844%2941%2847%2925-23-33-32-21-20-30-26-31%2842%2922-24-39%2830%2C2%2938%2832%2934%2843%2927-40%2833%2C41%293%2Fh22%2C24%2C26%2C32-34%2C38%2C43%2C47H%2C4-21%2C23%2C25%2C27-29H2%2C1-3H3%2Ft32%3F%2C33-%2C34-%2C38%2B%2C39-%2C40-%2C41-%2Fm0%2Fs1,113.0,27.0,6.0,-5.01529979705811,23.0,25.1532344818115,9.82299995422363,5.09000015258789,52.0,165.898300170898 +InChI%3D1S%2FC10H20N2O4%2Fc1-4-7%282%2910%283%2C5-15-8%2811%2913%296-16-9%2812%2914%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C11%2C13%29%28H2%2C12%2C14%29,36.0,16.0,4.0,1.130499958992,8.0,1.27803027629852,3.48000001907349,1.89999997615814,15.0,54.5480003356934 +InChI%3D1S%2FC12H16N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh6H%2C2-5%2C7H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,33.0,2.0,8.0,-1.10940003395081,2.0,1.23076832294464,2.59699988365173,2.23000001907349,18.0,58.7052993774414 +InChI%3D1S%2FC21H24ClN3OS%2Fc22-16-6-7-20-18%2814-16%2925%2817-4-1-2-5-19%2817%2927-20%2911-3-10-24-12-8-15%289-13-24%2921%2823%2926%2Fh1-2%2C4-7%2C14-15H%2C3%2C8-13H2%2C%28H2%2C23%2C26%29,51.0,3.0,13.0,0.317400008440018,5.0,0.100742757320404,4.77899980545044,3.10999989509583,30.0,58.8866996765137 +InChI%3D1S%2FC19H25N3O2S2%2Fc1-14%2820%282%293%2913-22-16-8-6-7-9-18%2816%2925-19-11-10-15%2812-17%2819%2922%2926%2823%2C24%2921%284%295%2Fh6-12%2C14H%2C13H2%2C1-5H3,51.0,6.0,17.0,0.102200001478195,5.0,0.0104448404163122,3.17600011825562,2.77999997138977,28.0,61.5266990661621 +InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,17.0,7.0,2.0,0.222499996423721,1.0,0.0495062507688999,0.763000011444092,2.00999999046326,6.0,27.1746006011963 +InChI%3D1S%2FC16H19ClO3%2Fc17-14-10-12%2815%2818%298-9-16%2819%2920%296-7-13%2814%2911-4-2-1-3-5-11%2Fh6-7%2C10-11H%2C1-5%2C8-9H2%2C%28H%2C19%2C20%29,39.0,7.0,8.0,-0.348600000143051,5.0,0.121521957218647,4.32000017166138,2.77999997138977,21.0,47.7205009460449 +InChI%3D1S%2FC2H7NS%2Fc3-1-2-4%2Fh4H%2C1-3H2,11.0,4.0,0.0,-0.215700000524521,1.0,0.0465264916419983,0.105999998748302,1.46000003814697,3.0,22.3381004333496 +InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3,38.0,6.0,6.0,0.795899987220764,5.0,0.633456826210022,4.62599992752075,2.89000010490417,20.0,34.0872001647949 +InChI%3D1S%2FC15H13NO3%2Fc17-14%2810-4-2-1-3-5-10%2913-7-6-12-11%2815%2818%2919%298-9-16%2812%2913%2Fh1-7%2C11H%2C8-9H2%2C%28H%2C18%2C19%29,32.0,2.0,13.0,-0.911499977111816,3.0,0.830832242965698,3.3289999961853,2.67000007629395,21.0,26.7087001800537 +InChI%3D1S%2FC24H34N2O5%2Fc1-3-31-24%2830%2919%2814-13-17-9-5-4-6-10-17%2925-16%282%2922%2827%2926-20-12-8-7-11-18%2820%2915-21%2826%2923%2828%2929%2Fh4-6%2C9-10%2C16%2C18-21%2C25H%2C3%2C7-8%2C11-15H2%2C1-2H3%2C%28H%2C28%2C29%29%2Ft16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1,65.0,13.0,6.0,-2.3882999420166,11.0,5.70397710800171,5.4850001335144,3.32999992370605,33.0,81.7261962890625 +InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,35.0,5.0,8.0,,5.0,,3.2720000743866,2.11999988555908,17.0, +InChI%3D1S%2FC17H20N2S%2Fc1-18%282%2912-7-13-19-14-8-3-5-10-16%2814%2920-17-11-6-4-9-15%2817%2919%2Fh3-6%2C8-11H%2C7%2C12-13H2%2C1-2H3,40.0,6.0,13.0,0.556800007820129,4.0,0.310026228427887,4.36100006103516,3.0,22.0,37.3189010620117 +InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3%2Ft6-%2Fm1%2Fs1,26.0,11.0,3.0,-2.51889991760254,4.0,6.34485721588135,-1.74100005626678,1.78999996185303,10.0,37.255500793457 +InChI%3D1S%2FC18H22O3%2Fc1-5-16%2818%282%2C3%2917%2819%2920%2914-7-6-13-11-15%2821-4%299-8-12%2813%2910-14%2Fh6-11%2C16H%2C5H2%2C1-4H3%2C%28H%2C19%2C20%29,43.0,9.0,11.0,0.254999995231628,5.0,0.0650250017642975,5.59700012207031,3.10999989509583,22.0,40.7498016357422 +InChI%3D1S%2FC17H32NO2.BrH%2Fc1-5-7-13%288-6-2%2917%2819%2920-16-11-14-9-10-15%2812-16%2918%2814%2C3%294%3B%2Fh13-16H%2C5-12H2%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft14-%2C15-%3B%2Fm1.%2Fs1,53.0,10.0,3.0,,7.0,,4.69799995422363,2.89000010490417,21.0, +InChI%3D1S%2FC9H10N2O3S2%2Fc1-2-14-6-3-4-7-8%285-6%2915-9%2811-7%2916%2810%2C12%2913%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C10%2C12%2C13%29,26.0,3.0,14.0,-0.147300004959106,3.0,0.0216972902417183,0.587999999523163,1.67999994754791,17.0,30.5447006225586 +InChI%3D1S%2FC15H18ClN3O4.H2O%2Fc1-3-4-7%282%2910%2817%2913%2820%2918-11-9-6-5-8%2816%2912%2815%2822%2923%2919%289%2914%2811%2921%3B%2Fh3-4%2C9-11H%2C2%2C5-6%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%3B1H2%2Fb4-3%2B%3B%2Ft9-%2C10-%2C11%2B%3B%2Fm1.%2Fs1,44.0,10.0,8.0,-0.294200003147125,5.0,0.0865536406636238,,2.11999988555908,24.0,84.1069030761719 +InChI%3D1S%2FC14H18Cl2N2O6S.ClH%2Fc1-25%2822%2C23%299-4-2-8%283-5-9%2912%2820%2910%287-24-11%2819%296-17%2918-14%2821%2913%2815%2916%3B%2Fh2-5%2C10%2C12-13%2C20H%2C6-7%2C17H2%2C1H3%2C%28H%2C18%2C21%29%3B1H%2Ft10-%2C12-%3B%2Fm1.%2Fs1,45.0,15.0,9.0,-0.903900027275085,9.0,0.81703519821167,1.07000005245209,1.67999994754791,25.0,67.2698974609375 +InChI%3D1S%2FC9H10N2O2%2Fc10-9%2813%2911-8%2812%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H3%2C10%2C11%2C12%2C13%29,23.0,7.0,6.0,-0.256199985742569,3.0,0.0656384378671646,2.9779999256134,2.00999999046326,13.0,21.3031005859375 +InChI%3D1S%2F2C10H17NOS.2ClH.H2O%2Fc2%2A1-8-12-10%287-13-8%296-11-4-2-9%2810%293-5-11%3B%3B%3B%2Fh2%2A8-9H%2C2-7H2%2C1H3%3B2%2A1H%3B1H2%2Ft2%2A8-%2C10-%3B%3B%3B%2Fm11...%2Fs1,67.0,0.0,0.0,-0.39520001411438,0.0,0.156183034181595,3.1470000743866,2.67000007629395,30.0,101.088401794434 +InChI%3D1S%2FC17H20N4S%2Fc1-12-11-13-16%2821-9-7-20%282%298-10-21%2918-14-5-3-4-6-15%2814%2919-17%2813%2922-12%2Fh3-6%2C11%2C19H%2C7-10H2%2C1-2H3,42.0,0.0,15.0,0.294999986886978,1.0,0.0870250016450882,3.45099997520447,2.77999997138977,25.0,52.9681015014648 +InChI%3D1S%2FC15H22N2O%2Fc1-11-7-6-8-12%282%2914%2811%2916-15%2818%2913-9-4-5-10-17%2813%293%2Fh6-8%2C13H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C16%2C18%29,40.0,3.0,9.0,0.308400005102158,2.0,0.0951105579733849,3.55599999427795,2.77999997138977,19.0,44.845100402832 +InChI%3D1S%2FC32H32O13S%2Fc1-37-19-6-13%287-20%2838-2%2925%2819%2933%2923-14-8-17-18%2842-12-41-17%299-15%2814%2928%2816-10-39-30%2836%2924%2816%2923%2944-32-27%2835%2926%2834%2929-21%2843-32%2911-40-31%2845-29%2922-4-3-5-46-22%2Fh3-9%2C16%2C21%2C23-24%2C26-29%2C31-35H%2C10-12H2%2C1-2H3%2Ft16%3F%2C21-%2C23-%2C24%2B%2C26-%2C27-%2C28%3F%2C29-%2C31%3F%2C32%2B%2Fm1%2Fs1,78.0,2.0,9.0,-2.32080006599426,6.0,5.38611268997192,1.37399995326996,3.44000005722046,53.0,93.2767028808594 +InChI%3D1S%2FC46H78N2O15%2Fc1-13-35%2850%2960-34-24-36%2851%2956-27%283%2917-15-14-16-18-33%2861-37-20-19-32%2847%288%299%2928%284%2957-37%2926%282%2923-31%2821-22-49%2942%2843%2834%2955-12%2963-45-40%2852%2939%2848%2810%2911%2941%2829%285%2959-45%2962-38-25-46%287%2C54%2944%2853%2930%286%2958-38%2Fh14-16%2C18%2C22%2C26-34%2C37-45%2C52-54H%2C13%2C17%2C19-21%2C23-25H2%2C1-12H3%2Fb15-14%2B%2C18-16-%2Ft26%3F%2C27-%2C28-%2C29-%2C30%2B%2C31%2B%2C32%2B%2C33%2B%2C34-%2C37-%2C38%2B%2C39-%2C40-%2C41-%2C42%2B%2C43%2B%2C44%2B%2C45%2B%2C46-%2Fm1%2Fs1,141.0,5.0,4.0,-1.82249999046326,14.0,3.32150626182556,2.92199993133545,4.65000009536743,66.0,227.093399047852 +InChI%3D1S%2FC2H3Br3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,9.0,6.0,0.0,1.85090005397797,1.0,3.42583084106445,2.3510000705719,1.24000000953674,5.0,36.641300201416 +InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22-%2C27-%2Fm0%2Fs1,68.0,4.0,19.0,-4.41879987716675,5.0,19.5257930755615,-1.67900002002716,3.10999989509583,43.0,85.2879028320312 +InChI%3D1S%2FC22H28N.BrH%2Fc1-4-23%285-2%2917-16-21%2818%2823%293%2922%2819-12-8-6-9-13-19%2920-14-10-7-11-15-20%3B%2Fh6-15%2C18H%2C4-5%2C16-17H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,52.0,2.0,14.0,,4.0,,9.10200023651123,3.66000008583069,25.0, +InChI%3D1S%2FC18H25NO%2Fc1-12-16-11-19%2810-13-3-4-13%298-7-18%2812%2C2%2917-9-14%2820%295-6-15%2816%2917%2Fh5-6%2C9%2C12-13%2C16%2C20H%2C3-4%2C7-8%2C10-11H2%2C1-2H3,45.0,0.0,7.0,0.147900000214577,2.0,0.0218744091689587,3.67600011825562,3.22000002861023,23.0,55.2181015014648 +InChI%3D1S%2FC16H12FN3O3%2Fc1-23-16%2822%2920-15-18-12-7-4-10%288-13%2812%2919-15%2914%2821%299-2-5-11%2817%296-3-9%2Fh2-8H%2C1H3%2C%28H2%2C18%2C19%2C20%2C22%29,34.0,5.0,16.0,0.787400007247925,4.0,0.619998753070831,3.875,2.45000004768372,25.0,21.7429008483887 +InChI%3D1S%2FC13H15N3O4S%2Fc1-19-7-8-20-11-9-14-13%2815-10-11%2916-21%2817%2C18%2912-5-3-2-4-6-12%2Fh2-6%2C9-10H%2C7-8H2%2C1H3%2C%28H%2C14%2C15%2C16%29,36.0,5.0,17.0,-1.1191999912262,7.0,1.25260865688324,1.34700000286102,2.00999999046326,22.0,29.5009002685547 +InChI%3D1S%2FC13H26N2O4%2Fc1-4-6-8-15-12%2817%2919-10-13%283%2C7-5-2%299-18-11%2814%2916%2Fh4-10H2%2C1-3H3%2C%28H2%2C14%2C16%29%28H%2C15%2C17%29,45.0,19.0,4.0,0.322200000286102,11.0,0.103812843561172,4.12400007247925,2.23000001907349,18.0,67.1253967285156 +InChI%3D1S%2FC19H17ClF3NO4%2Fc1-12%2825%2924-9-10-27-18%2826%2917%2813-5-7-15%2820%298-6-13%2928-16-4-2-3-14%2811-16%2919%2821%2C22%2923%2Fh2-8%2C11%2C17H%2C9-10H2%2C1H3%2C%28H%2C24%2C25%29,45.0,11.0,7.0,1.16740000247955,9.0,1.36282277107239,5.56099987030029,2.55999994277954,29.0,46.4221992492676 +InChI%3D1S%2FC6H6N2O%2Fc7-6%289%295-2-1-3-8-4-5%2Fh1-4H%2C%28H2%2C7%2C9%29,15.0,3.0,9.0,-0.0816000029444695,1.0,0.00665856013074517,1.04299998283386,1.78999996185303,9.0,8.47640037536621 +InChI%3D1S%2FC11H13NO4%2Fc1-14-9-4-2-3-5-10%289%2915-7-8-6-12-11%2813%2916-8%2Fh2-5%2C8H%2C6-7H2%2C1H3%2C%28H%2C12%2C13%29,29.0,2.0,8.0,0.0119000002741814,4.0,0.000141609998536296,1.82400000095367,2.11999988555908,17.0,31.398099899292 +InChI%3D1S%2FC24H32O4%2Fc1-5-24%2828-16%283%2926%2913-11-22-21-8-6-17-14-18%2827-15%282%2925%297-9-19%2817%2920%2821%2910-12-23%2822%2C24%294%2Fh1%2C14%2C18-22H%2C6-13H2%2C2-4H3%2Ft18-%2C19%3F%2C20%2B%2C21%3F%2C22-%2C23%3F%2C24-%2Fm0%2Fs1,60.0,4.0,3.0,1.24559998512268,4.0,1.5515193939209,4.99700021743774,3.66000008583069,31.0,101.771202087402 +InChI%3D1S%2FC13H14N2O3%2Fc1-3-13%289-7-5-4-6-8-9%2910%2816%2914-12%2818%2915%282%2911%2813%2917%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C14%2C16%2C18%29,32.0,2.0,8.0,-0.928300023078918,2.0,0.86174088716507,3.24799990653992,2.33999991416931,19.0,39.3282012939453 +InChI%3D1S%2FC14H20Br2N2%2Fc1-18%2812-5-3-2-4-6-12%299-10-7-11%2815%298-13%2816%2914%2810%2917%2Fh7-8%2C12H%2C2-6%2C9%2C17H2%2C1H3,38.0,3.0,7.0,-0.335599988698959,3.0,0.112627357244492,4.00400018692017,2.55999994277954,19.0,52.6831016540527 +InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2917-11%2813-7%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6H%2C12H2%2C1-2H3%2C%28H%2C13%2C14%29,31.0,4.0,11.0,-0.961499989032745,3.0,0.924482226371765,1.35199999809265,1.89999997615814,19.0,28.4477996826172 +InChI%3D1S%2FC17H21N%2Fc1-15%2813-16-9-5-3-6-10-16%2918%282%2914-17-11-7-4-8-12-17%2Fh3-12%2C15H%2C13-14H2%2C1-2H3%2Ft15-%2Fm0%2Fs1,39.0,6.0,6.0,0.190400004386902,5.0,0.0362521596252918,7.11899995803833,3.22000002861023,19.0,27.468900680542 +InChI%3D1S%2FC41H67NO15%2Fc1-19-17-41%2818-49-41%2938%2846%2923%285%2934%2853-27%289%2943%2921%283%2925%287%2952-39%2847%2924%286%2935%2856-32-16-31%2848-14%2936%2826%288%2951-32%2954-28%2810%2944%2922%284%2933%2819%2957-40-37%2855-29%2811%2945%2930%2842%2812%2913%2915-20%282%2950-40%2Fh19-26%2C30-37%2C40H%2C15-18H2%2C1-14H3%2Ft19-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2C25%2B%2C26-%2C30-%2C31-%2C32-%2C33-%2C34-%2C35-%2C36-%2C37%2B%2C40%3F%2C41-%2Fm0%2Fs1,124.0,4.0,3.0,-1.08580005168915,12.0,1.17896163463593,2.91599988937378,4.21000003814697,60.0,196.536697387695 +InChI%3D1S%2FC5H11Cl2NO.ClH%2Fc1-8%289%2C4-2-6%295-3-7%3B%2Fh2-5H2%2C1H3%3B1H,22.0,9.0,1.0,0.829299986362457,4.0,0.687738478183746,1.2150000333786,1.46000003814697,8.0,36.5657997131348 +InChI%3D1S%2FC29H40N2O4%2Fc1-6-18-17-31-10-8-20-14-27%2833-3%2929%2835-5%2916-23%2820%2925%2831%2912-21%2818%2911-24-22-15-28%2834-4%2926%2832-2%2913-19%2822%297-9-30-24%2Fh13-16%2C18%2C21%2C24-25%2C30H%2C6-12%2C17H2%2C1-5H3%2Ft18-%2C21%3F%2C24%2B%2C25-%2Fm0%2Fs1,75.0,2.0,8.0,-0.506900012493134,7.0,0.256947606801987,4.16099977493286,3.99000000953674,39.0,88.61669921875 +InChI%3D1S%2FC18H17NO5%2Fc1-23-15-9-7-12%2811-16%2815%2924-2%298-10-17%2820%2919-14-6-4-3-5-13%2814%2918%2821%2922%2Fh3-11H%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29,41.0,5.0,22.0,-0.063900001347065,6.0,0.0040832101367414,3.90700006484985,2.77999997138977,25.0,40.57080078125 +InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1,37.0,7.0,7.0,0.463800013065338,8.0,0.215110436081886,0.514999985694885,2.23000001907349,19.0,52.6076011657715 +InChI%3D1S%2FC18H29NO2%2Fc1-18%282%2C3%2919-12-15%2820%2913-21-17-11-7-6-10-16%2817%2914-8-4-5-9-14%2Fh6-7%2C10-11%2C14-15%2C19-20H%2C4-5%2C8-9%2C12-13H2%2C1-3H3%2Ft15-%2Fm0%2Fs1,50.0,10.0,7.0,-0.399300009012222,7.0,0.159440487623215,4.79199981689453,3.10999989509583,22.0,57.3361015319824 +InChI%3D1S%2FC9H19NO4%2Fc1-9%282%2C6-12%297%2813%298%2814%2910-4-3-5-11%2Fh7%2C11-13H%2C3-6H2%2C1-2H3%2C%28H%2C10%2C14%29,33.0,14.0,3.0,-1.18280005455017,6.0,1.39901578426361,-0.815999984741211,1.89999997615814,13.0,49.9790992736816 +InChI%3D1S%2FC29H33FO8%2Fc1-16-12-21-20-8-7-18-13-19%2832%299-10-26%2818%2C3%2928%2820%2C30%2923%2833%2914-27%2821%2C4%2929%2816%2C24%2834%2915-37-17%282%2931%2938-25%2835%2922-6-5-11-36-22%2Fh5-6%2C9-11%2C13%2C16%2C20-21%2C23%2C33H%2C7-8%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C20%2B%2C21%2B%2C23%2B%2C26%2B%2C27%2B%2C28%2B%2C29%2B%2Fm1%2Fs1,71.0,7.0,8.0,-0.349799990653992,7.0,0.122360043227673,2.91199994087219,3.66000008583069,42.0,115.792999267578 +InChI%3D1S%2FC21H26ClN3OS%2Fc22-17-6-7-21-19%2816-17%2925%2818-4-1-2-5-20%2818%2927-21%299-3-8-23-10-12-24%2813-11-23%2914-15-26%2Fh1-2%2C4-7%2C16%2C26H%2C3%2C8-15H2,53.0,3.0,13.0,0.718999981880188,6.0,0.516960978507996,3.39100003242493,3.10999989509583,30.0,65.2769012451172 +InChI%3D1S%2FC18H36N4O11%2Fc19-4-1-5%2820%2916%2833-18-13%2828%298%2821%2910%2825%296%282-23%2931-18%2914%2829%2915%284%2932-17-9%2822%2912%2827%2911%2826%297%283-24%2930-17%2Fh4-18%2C23-29H%2C1-3%2C19-22H2%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1,69.0,2.0,0.0,-7.49370002746582,6.0,56.1555404663086,-5.48600006103516,1.78999996185303,35.0,104.180702209473 +InChI%3D1S%2FC8H11NO3%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-3%2C8%2C10-12H%2C4%2C9H2%2Ft8-%2Fm0%2Fs1,23.0,4.0,8.0,-2.16960000991821,2.0,4.70716428756714,-0.46000000834465,1.89999997615814,12.0,20.0259990692139 +InChI%3D1S%2FC10H16Br2N2O2%2Fc11-3-1-9%2815%2913-5-7-14%288-6-13%2910%2816%292-4-12%2Fh1-8H2,32.0,5.0,3.0,0.647199988365173,6.0,0.418867826461792,1.14999997615814,1.89999997615814,16.0,69.4527969360352 +InChI%3D1S%2FC12H18O%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9%2C13H%2C1-4H3,31.0,3.0,7.0,0.685500025749207,2.0,0.469910264015198,4.42199993133545,2.67000007629395,13.0,31.1002006530762 +InChI%3D1S%2FC28H27NO4S%2Fc30-21-8-4-20%285-9-21%2928-26%2824-13-10-22%2831%2918-25%2824%2934-28%2927%2832%2919-6-11-23%2812-7-19%2933-17-16-29-14-2-1-3-15-29%2Fh4-13%2C18%2C30-31H%2C1-3%2C14-17H2,61.0,3.0,26.0,-1.55229997634888,7.0,2.40963530540466,5.0770001411438,3.88000011444092,38.0,50.3694000244141 +InChI%3D1S%2FC6H7NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-4%2C8H%2C5H2,15.0,2.0,6.0,-0.44870001077652,1.0,0.201331689953804,0.379999995231628,1.89999997615814,8.0,7.27680015563965 +InChI%3D1S%2FC12H21NO8S%2Fc1-10%282%2918-7-5-16-12%286-17-22%2813%2C14%2915%299%288%287%2919-10%2920-11%283%2C4%2921-12%2Fh7-9H%2C5-6H2%2C1-4H3%2C%28H2%2C13%2C14%2C15%29%2Ft7-%2C8%3F%2C9%2B%2C12%2B%2Fm1%2Fs1,43.0,6.0,5.0,-1.53740000724792,3.0,2.36359882354736,-1.2039999961853,1.67999994754791,24.0,70.7020034790039 +InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,17.0,3.0,10.0,-0.541899979114532,1.0,0.293655604124069,2.1159999370575,1.89999997615814,10.0,11.0410003662109 +InChI%3D1S%2FC9H11N%2Fc10-9-6-8%289%297-4-2-1-3-5-7%2Fh1-5%2C8-9H%2C6%2C10H2%2Ft8%3F%2C9-%2Fm1%2Fs1,21.0,0.0,6.0,-0.850799977779388,1.0,0.723860621452332,3.18099999427795,2.33999991416931,11.0,14.8746004104614 +InChI%3D1S%2FC26H27ClN2O%2Fc1-28%2819-26%2830%2922-13-15-23%2827%2916-14-22%2917-6-18-29-24-9-4-2-7-20%2824%2911-12-21-8-3-5-10-25%2821%2929%2Fh2-5%2C7-10%2C13-16H%2C6%2C11-12%2C17-19H2%2C1H3,57.0,8.0,13.0,0.267399996519089,7.0,0.071502760052681,7.09999990463257,3.88000011444092,33.0,49.0830993652344 +InChI%3D1S%2FC9H6I3NO3%2Fc1-3%2814%2913-8-5%2811%292-4%2810%296%287%288%2912%299%2815%2916%2Fh2H%2C1H3%2C%28H%2C13%2C14%29%28H%2C15%2C16%29,22.0,4.0,12.0,3.9488000869751,2.0,15.5930213928223,3.76799988746643,1.67999994754791,16.0,62.9586982727051 +InChI%3D1S%2FC8H12N4O5%2Fc9-6%2816%297-10-2-12%2811-7%298-5%2815%294%2814%293%281-13%2917-8%2Fh2-5%2C8%2C13-15H%2C1H2%2C%28H2%2C9%2C16%29%2Ft3-%2C4-%2C5-%2C8-%2Fm1%2Fs1,29.0,2.0,3.0,-2.16400003433228,3.0,4.68289613723755,-3.04399991035461,1.35000002384186,18.0,37.7358016967773 +InChI%3D1S%2FC22H29FO5%2Fc1-11-6-14-13-8-16%2823%2915-7-12%2825%294-5-20%2815%2C2%2919%2813%2917%2826%299-21%2814%2C3%2922%2811%2C28%2918%2827%2910-24%2Fh4-5%2C7%2C11%2C13-14%2C16-17%2C19%2C24%2C26%2C28H%2C6%2C8-10H2%2C1-3H3%2Ft11-%2C13%3F%2C14%2B%2C16%2B%2C17%2B%2C19-%2C20%2B%2C21%2B%2C22%2B%2Fm1%2Fs1,57.0,4.0,6.0,-0.80620002746582,2.0,0.649958431720734,1.03600001335144,3.22000002861023,31.0,101.097702026367 +InChI%3D1S%2FC19H17N3O4S2%2Fc23-14%289-13-5-4-8-27-13%2920-15-17%2824%2922-16%2819%2825%2926%2912%2811-28-18%2815%2922%2910-21-6-2-1-3-7-21%2Fh1-8%2C15%2C18H%2C9-11H2%2C%28H-%2C20%2C23%2C25%2C26%29%2Ft15-%2C18-%2Fm1%2Fs1,46.0,4.0,8.0,-2.03819990158081,6.0,4.1542592048645,1.03100001811981,2.55999994277954,31.0,65.3464965820312 +InChI%3D1S%2FC16H15ClN2OS%2Fc1-3-10-8-12-15%2811-6-4-5-7-13%2811%2917%2918-9-14%2820%2919%282%2916%2812%2921-10%2Fh4-8H%2C3%2C9H2%2C1-2H3,36.0,2.0,16.0,0.258300006389618,2.0,0.0667188912630081,3.22300004959106,2.67000007629395,23.0,46.5227012634277 +InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-5-3-4-6-9%288%2911%2Fh3-6H%2C7%2C12H2%2C1-2H3,26.0,5.0,6.0,0.909699976444244,2.0,0.827554106712341,3.25099992752075,2.33999991416931,12.0,28.3603000640869 +InChI%3D1S%2FC11H14ClN5%2Fc1-11%282%2916-9%2813%2915-10%2814%2917%2811%298-5-3-7%2812%294-6-8%2Fh3-6H%2C1-2H3%2C%28H4%2C13%2C14%2C15%2C16%29,31.0,0.0,13.0,0.439200013875961,1.0,0.192896634340286,4.7519998550415,2.00999999046326,18.0,39.6129989624023 +InChI%3D1S%2FC18H23N5O5%2Fc1-21-16-15%2817%2827%2922%282%2918%2821%2928%2923%2810-20-16%295-3-4-19-9-14%2826%2911-6-12%2824%298-13%2825%297-11%2Fh6-8%2C10%2C14%2C19%2C24-26H%2C3-5%2C9H2%2C1-2H3,51.0,7.0,8.0,-2.6382999420166,7.0,6.96062707901001,-0.976000010967255,2.33999991416931,30.0,60.6153984069824 +InChI%3D1S%2FC15H14O6%2Fc16-8-4-11%2818%299-6-13%2820%2915%2821-14%289%295-8%297-1-2-10%2817%2912%2819%293-7%2Fh1-5%2C13%2C15-20H%2C6H2%2Ft13%3F%2C15-%2Fm1%2Fs1,35.0,0.0,9.0,-2.49399995803833,1.0,6.22003602981567,0.40599998831749,2.45000004768372,23.0,26.1033000946045 +InChI%3D1S%2FC21H36O5%2Fc1-3-4-9-13-21%282%2C26%2914-12-17-16%2818%2822%2915-19%2817%2923%2910-7-5-6-8-11-20%2824%2925%2Fh5%2C7%2C12%2C14%2C16-19%2C22-23%2C26H%2C3-4%2C6%2C8-11%2C13%2C15H2%2C1-2H3%2C%28H%2C24%2C25%29%2Fb7-5-%2C14-12%2B%2Ft16%3F%2C17-%2C18%2B%2C19-%2C21%2B%2Fm1%2Fs1,62.0,10.0,3.0,-2.02379989624023,12.0,4.09576654434204,3.31299996376038,3.22000002861023,26.0,94.7621002197266 +InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-37-16-31%2853%2944%2822%282%2962-37%2968-38-17-33%2864-24%284%2951%2945%2823%283%2963-38%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2930%2852%2915-36%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-28%2847%2910-12-48%286%2939%2825-13-35%2855%2960-20-25%2932%2854%2918-49%2829%2C48%2959%2Fh13%2C21-23%2C26-34%2C36-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26%3F%2C27%3F%2C28%2B%2C29-%2C30%2B%2C31%3F%2C32%3F%2C33%2B%2C34-%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40%3F%2C41%2B%2C42-%2C43-%2C44-%2C45-%2C46%2B%2C47%2B%2C48-%2C49%2B%2Fm1%2Fs1,145.0,4.0,5.0,-5.23920011520386,12.0,27.4492168426514,1.58800005912781,4.65000009536743,77.0,226.442398071289 +InChI%3D1S%2FC17H14O4S%2Fc1-22%2819%2C20%2914-9-7-12%288-10-14%2915-11-21-17%2818%2916%2815%2913-5-3-2-4-6-13%2Fh2-10H%2C11H2%2C1H3,36.0,3.0,20.0,-0.325800001621246,3.0,0.106145642697811,4.76700019836426,2.77999997138977,24.0,33.2206001281738 +InChI%3D1S%2FC9H10O2%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6%2C10H%2C2H2%2C1H3,21.0,4.0,9.0,-0.638000011444092,2.0,0.407043993473053,1.58800005912781,2.23000001907349,11.0,18.3584995269775 +InChI%3D1S%2FC24H30N2O2%2Fc1-2-26-19-22%2813-14-25-15-17-28-18-16-25%2924%2823%2826%2927%2C20-9-5-3-6-10-20%2921-11-7-4-8-12-21%2Fh3-12%2C22H%2C2%2C13-19H2%2C1H3,58.0,2.0,6.0,-1.31729996204376,6.0,1.73527932167053,6.24599981307983,3.66000008583069,31.0,58.557201385498 +InChI%3D1S%2FC14H12O3S%2Fc1-9%2814%2816%2917%2911-7-8-12%2818-11%2913%2815%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29,30.0,5.0,13.0,0.3817999958992,4.0,0.145771235227585,3.88899993896484,2.55999994277954,19.0,29.7129001617432 +InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11-%2C12-%2Fm1%2Fs1,45.0,2.0,0.0,-4.26030015945435,4.0,18.1501560211182,-3.66300010681152,1.57000005245209,24.0,68.3367004394531 +InChI%3D1S%2FC18H19Cl2NO4%2Fc1-5-25-18%2823%2914-10%283%2921-9%282%2913%2817%2822%2924-4%2915%2814%2911-7-6-8-12%2819%2916%2811%2920%2Fh6-8%2C15%2C21H%2C5H2%2C1-4H3,44.0,5.0,11.0,1.93680000305176,6.0,3.75119423866272,4.42700004577637,2.67000007629395,26.0,74.7667007446289 +InChI%3D1S%2FC6H8ClNS%2Fc1-5-6%282-3-7%299-4-8-5%2Fh4H%2C2-3H2%2C1H3,17.0,3.0,5.0,1.49800002574921,2.0,2.24400401115417,2.03200006484985,1.78999996185303,9.0,26.7653999328613 +InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3,26.0,11.0,3.0,-2.51889991760254,4.0,6.34485721588135,-1.74100005626678,1.78999996185303,10.0,37.255500793457 +InChI%3D1S%2FC22H26N2O4S%2Fc1-15%2825%2928-20-21%2816-9-11-17%2827-4%2912-10-16%2929-19-8-6-5-7-18%2819%2924%2822%2820%2926%2914-13-23%282%293%2Fh5-12%2C20-21H%2C13-14H2%2C1-4H3%2Ft20-%2C21%2B%2Fm1%2Fs1,55.0,5.0,9.0,-0.143700003623962,7.0,0.0206496901810169,3.64000010490417,3.10999989509583,31.0,64.7033996582031 +InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1,26.0,12.0,0.0,-2.94020009040833,5.0,8.64477634429932,-3.89599990844727,1.46000003814697,11.0,38.4035987854004 +InChI%3D1S%2FC20H21NO4%2Fc1-22-17-4-3-12-7-16-14-9-19-18%2824-11-25-19%298-13%2814%295-6-21%2816%2910-15%2812%2920%2817%2923-2%2Fh3-4%2C8-9%2C16H%2C5-7%2C10-11H2%2C1-2H3,46.0,2.0,8.0,-0.102300003170967,2.0,0.0104652903974056,2.47499990463257,3.10999989509583,29.0,47.1412010192871 +InChI%3D1S%2FC23H29N3O2S2%2Fc1-24%282%2930%2827%2C28%2918-10-11-23-21%2817-18%2919%2820-7-4-5-9-22%2820%2929-23%298-6-12-26-15-13-25%283%2914-16-26%2Fh4-5%2C7-11%2C17H%2C6%2C12-16H2%2C1-3H3,59.0,6.0,18.0,0.0296000000089407,5.0,0.000876159989275038,3.21600008010864,3.22000002861023,33.0,77.3923034667969 +InChI%3D1S%2FC21H39N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh4-18%2C26%2C29%2C31-36H%2C3H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6-%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1,79.0,4.0,4.0,-5.8503999710083,11.0,34.227180480957,-3.51099991798401,1.67999994754791,42.0,122.162300109863 +InChI%3D1S%2FC20H24N2O6%2Fc1-11%282%2910-28-20%2824%2917-13%284%2921-12%283%2916%2819%2823%2927-5%2918%2817%2914-8-6-7-9-15%2814%2922%2825%2926%2Fh6-9%2C11%2C18%2C21H%2C10H2%2C1-5H3,52.0,7.0,11.0,0.633400022983551,8.0,0.401195555925369,4.98799991607666,2.77999997138977,29.0,75.4107971191406 +InChI%3D1S%2FC21H24O2%2Fc1-3-20-11-9-17-16-8-6-15%2822%2913-14%2816%295-7-18%2817%2919%2820%2910-12-21%2820%2C23%294-2%2Fh2%2C9%2C11%2C13%2C18-19%2C23H%2C3%2C5-8%2C10%2C12H2%2C1H3%2Ft18-%2C19%2B%2C20%2B%2C21%2B%2Fm1%2Fs1,47.0,2.0,8.0,1.2606999874115,1.0,1.58936452865601,2.61500000953674,3.54999995231628,26.0,92.9504013061523 +InChI%3D1S%2FC9H11NO2%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6%2C10H2%2C%28H%2C11%2C12%29,23.0,6.0,6.0,-1.08440005779266,3.0,1.17592334747314,0.441000014543533,2.11999988555908,12.0,19.6296005249023 +InChI%3D1S%2FC23H45N5O14%2Fc24-2-7-13%2832%2915%2834%2910%2827%2921%2837-7%2941-19-9%284-30%2939-23%2817%2819%2936%2942-20-12%2831%295%2825%291-6%2826%2918%2820%2940-22-11%2828%2916%2835%2914%2833%298%283-29%2938-22%2Fh5-23%2C29-36H%2C1-4%2C24-28H2%2Ft5-%2C6%2B%2C7%2B%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2C22%3F%2C23%2B%2Fm1%2Fs1,87.0,2.0,0.0,-9.01949977874756,9.0,81.3513793945312,-6.84700012207031,1.89999997615814,45.0,132.289001464844 +InChI%3D1S%2FC16H12N4O9S2.3Na%2Fc21-15-13%2818-17-9-1-5-11%286-2-9%2930%2824%2C25%2926%2914%2816%2822%2923%2919-20%2815%2910-3-7-12%288-4-10%2931%2827%2C28%2929%3B%3B%3B%2Fh1-8%2C19H%2C%28H%2C22%2C23%29%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb18-17-%3B%3B%3B,45.0,3.0,14.0,,6.0,,0.305999994277954,1.24000000953674,33.0, +InChI%3D1S%2FC18H20N2S%2Fc1-19-11-10-14%2812-19%2913-20-15-6-2-4-8-17%2815%2921-18-9-5-3-7-16%2818%2920%2Fh2-9%2C14H%2C10-13H2%2C1H3,41.0,0.0,13.0,0.159999996423721,2.0,0.0255999993532896,4.38299989700317,3.10999989509583,24.0,39.1371994018555 +InChI%3D1S%2FC4H7NO4%2Fc5-2%284%288%299%291-3%286%297%2Fh2H%2C1%2C5H2%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft2-%2Fm0%2Fs1,16.0,9.0,3.0,-1.35179996490479,3.0,1.82736325263977,-3.70700001716614,1.35000002384186,8.0,26.5326995849609 +InChI%3D1S%2FC24H34O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh13-14%2C16-18%2C22H%2C4-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Ft13-%2C14%2B%2C16-%2C17%3F%2C18%2B%2C22%2B%2C23%2B%2C24-%2Fm1%2Fs1,63.0,7.0,3.0,0.096100002527237,4.0,0.00923520978540182,2.66400003433228,3.54999995231628,32.0,106.14769744873 +InChI%3D1S%2FC16H23NO%2Fc1-13-6-8-15%289-7-13%2916%2818%2914%282%2912-17-10-4-3-5-11-17%2Fh6-9%2C14H%2C3-5%2C10-12H2%2C1-2H3,41.0,5.0,8.0,-0.14300000667572,4.0,0.020448999479413,4.0939998626709,3.0,19.0,45.9715995788574 +InChI%3D1S%2FC20H32O%2Fc1-3-20%2821%2913-11-18-17-9-8-14-6-4-5-7-15%2814%2916%2817%2910-12-19%2818%2C20%292%2Fh6%2C15-18%2C21H%2C3-5%2C7-13H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1,53.0,2.0,2.0,0.252099990844727,1.0,0.0635544136166573,6.09000015258789,3.54999995231628,24.0,83.0036010742188 +InChI%3D1S%2FC17H18FN3O3%2Fc18-13-7-11-14%288-15%2813%2920-5-3-19-4-6-20%2921%2810-1-2-10%299-12%2816%2811%2922%2917%2823%2924%2Fh7-10%2C19H%2C1-6H2%2C%28H%2C23%2C24%29,44.0,2.0,10.0,-1.13100004196167,3.0,1.27916097640991,0.612999975681305,2.55999994277954,27.0,58.9375 +InChI%3D1S%2FC30H50O%2Fc1-8-22%2819%282%293%2910-9-20%284%2924-13-14-26-23-11-12-25-21%285%2928%2831%2916-18-30%2825%2C7%2927%2823%2915-17-29%2824%2C26%296%2Fh8%2C11%2C19-21%2C24-28%2C31H%2C9-10%2C12-18H2%2C1-7H3%2Ft20-%2C21%2B%2C24-%2C25%2B%2C26%2B%2C27%2B%2C28%2B%2C29-%2C30%2B%2Fm1%2Fs1,81.0,10.0,2.0,2.51090002059937,5.0,6.30461883544922,11.1160001754761,4.65000009536743,34.0,132.361206054688 +InChI%3D1S%2FC17H25N%2Fc1-4-10-16%2811-5-1%2917%2812-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1%2C4-5%2C10-11H%2C2-3%2C6-9%2C12-15H2,43.0,0.0,6.0,-1.46529996395111,2.0,2.14710402488708,5.65700006484985,3.22000002861023,20.0,40.9986000061035 +InChI%3D1S%2FC13H9F3N2O2%2Fc14-13%2815%2C16%298-3-1-4-9%287-8%2918-11-10%2812%2819%2920%295-2-6-17-11%2Fh1-7H%2C%28H%2C17%2C18%29%28H%2C19%2C20%29,29.0,3.0,16.0,0.437900006771088,4.0,0.191756412386894,4.37200021743774,2.11999988555908,21.0,16.9538993835449 +InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3,24.0,4.0,5.0,0.134100005030632,2.0,0.0179828107357025,0.172000005841255,2.00999999046326,11.0,42.0176010131836 +InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10-%2Fm0%2Fs1,27.0,6.0,6.0,-0.827899992465973,3.0,0.685418426990509,2.51999998092651,2.33999991416931,12.0,24.2558002471924 +InChI%3D1S%2FC13H18O2%2Fc1-9%282%298-11-4-6-12%287-5-11%2910%283%2913%2814%2915%2Fh4-7%2C9-10H%2C8H2%2C1-3H3%2C%28H%2C14%2C15%29,33.0,5.0,6.0,0.949100017547607,4.0,0.900790810585022,5.34200000762939,2.67000007629395,15.0,35.5957984924316 +InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh10%2C16-17%2C20%2C28H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C20%2B%2C21-%2C22-%2C23-%2Fm0%2Fs1,59.0,7.0,4.0,-0.633599996566772,4.0,0.401448965072632,0.45100000500679,3.32999992370605,32.0,104.634201049805 +InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,31.0,2.0,8.0,-1.50999999046326,2.0,2.28010010719299,3.03500008583069,2.11999988555908,17.0,26.8635005950928 +InChI%3D1S%2FC19H21NO3%2Fc1-2-8-20-9-7-19-12-4-6-15%2822%2918%2819%2923-17-14%2821%295-3-11%2816%2817%2919%2910-13%2812%2920%2Fh2-6%2C12-13%2C15%2C18%2C21-22H%2C1%2C7-10H2%2Ft12-%2C13%2B%2C15-%2C18%3F%2C19-%2Fm0%2Fs1,44.0,3.0,8.0,-0.100299999117851,2.0,0.0100600896403193,1.41100001335144,3.10999989509583,27.0,65.2407989501953 +InChI%3D1S%2FC34H35N3O10.ClH%2Fc1-15-28%2838%2920%2835%2912-23%2846-15%2947-22-14-34%2844%2C16%282%2936-37-33%2843%2917-8-5-4-6-9-17%2913-19-25%2822%2932%2842%2927-26%2830%2819%2940%2929%2839%2918-10-7-11-21%2845-3%2924%2818%2931%2827%2941%3B%2Fh4-11%2C15%2C20%2C22-23%2C28%2C38%2C40%2C42%2C44H%2C12-14%2C35H2%2C1-3H3%2C%28H%2C37%2C43%29%3B1H%2Ft15-%2C20-%2C22-%2C23-%2C28%2B%2C34-%3B%2Fm0.%2Fs1,84.0,6.0,19.0,-3.67020010948181,6.0,13.4703683853149,3.40700006484985,3.66000008583069,52.0,93.3191986083984 +InChI%3D1S%2FC18H22N2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2921-18-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3,43.0,7.0,13.0,0.978200018405914,4.0,0.956875264644623,4.65799999237061,3.10999989509583,23.0,42.9426002502441 +InChI%3D1S%2FC20H24ClN3O2%2Fc1-26-19-12-18%2822%2917%2821%2911-16%2819%2920%2825%2923-15-7-9-24%2810-8-15%2913-14-5-3-2-4-6-14%2Fh2-6%2C11-12%2C15H%2C7-10%2C13%2C22H2%2C1H3%2C%28H%2C23%2C25%29,50.0,3.0,11.0,-0.829500019550323,5.0,0.688070237636566,4.23299980163574,3.0,28.0,51.7921981811523 +InChI%3D1S%2FC20H21NO4%2Fc1-22-17-6-5-13%2810-18%2817%2923-2%299-16-15-12-20%2825-4%2919%2824-3%2911-14%2815%297-8-21-16%2Fh5-8%2C10-12H%2C9H2%2C1-4H3,46.0,2.0,12.0,0.114000000059605,6.0,0.0129960002377629,3.36299991607666,3.10999989509583,27.0,34.0177993774414 +InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,9.0,3.0,0.0,-0.107600003480911,0.0,0.0115777598693967,-0.0759999975562096,1.57000005245209,2.0,12.555100440979 +InChI%3D1S%2FC8H8Cl3N3O4S2%2Fc9-3-1-4-6%282-5%283%2919%2812%2C15%2916%2920%2817%2C18%2914-8%2813-4%297%2810%2911%2Fh1-2%2C7-8%2C13-14H%2C%28H2%2C12%2C15%2C16%29,28.0,3.0,15.0,-0.217299997806549,2.0,0.0472192913293839,-0.0430000014603138,1.01999998092651,21.0,49.7582015991211 +InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1,24.0,12.0,0.0,-0.241999998688698,5.0,0.0585639998316765,-0.272000014781952,1.46000003814697,11.0,50.472599029541 +InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29,13.0,0.0,0.0,0.626500010490417,0.0,0.392502248287201,0.552999973297119,1.57000005245209,7.0,17.2863006591797 +InChI%3D1S%2FC12H14N4O4S%2Fc1-19-10-11%2814-7-15-12%2810%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,35.0,4.0,19.0,-1.78999996185303,5.0,3.20409989356995,0.35699999332428,1.78999996185303,22.0,29.9953002929688 +InChI%3D1S%2FC32H53N2O4.BrH%2Fc1-5-14-34%2815-6-7-16-34%2928-20-26-24-9-8-23-19-29%2836%2927%2833-12-17-37-18-13-33%2921-32%2823%2C4%2925%2824%2910-11-31%2826%2C3%2930%2828%2938-22%282%2935%3B%2Fh5%2C23-30%2C36H%2C1%2C6-21H2%2C2-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft23-%2C24%2B%2C25-%2C26%3F%2C27-%2C28%3F%2C29-%2C30-%2C31-%2C32-%3B%2Fm0.%2Fs1,92.0,4.0,3.0,,6.0,,5.88000011444092,4.21000003814697,43.0, +InChI%3D1S%2FC21H25NO%2Fc1-22-18-12-13-19%2822%2915-20%2814-18%2923-21%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-21H%2C12-15H2%2C1H3%2Ft18-%2C19-%2Fm1%2Fs1,48.0,2.0,6.0,-1.39219999313354,4.0,1.93822085857391,6.84899997711182,3.54999995231628,26.0,35.4518013000488 +InChI%3D1S%2FC11H15ClO2%2Fc1-10%282%2C13%2911%283%2C14%298-4-6-9%2812%297-5-8%2Fh4-7%2C13-14H%2C1-3H3,29.0,7.0,6.0,0.572399973869324,2.0,0.327641755342484,2.49399995803833,2.33999991416931,14.0,32.5483016967773 +InChI%3D1S%2FC43H75NO16%2Fc1-15-29-43%2811%2C52%2936%2848%2924%285%2933%2847%2922%283%2920-41%289%2C51%2938%2825%286%2934%2826%287%2939%2850%2957-29%2959-32-21-42%2810%2C53-14%2937%2849%2927%288%2956-32%2960-40-35%2828%2844%2812%2913%2919-23%284%2955-40%2958-31%2846%2918-17-30%2845%2954-16-2%2Fh22-29%2C32%2C34-38%2C40%2C48-49%2C51-52H%2C15-21H2%2C1-14H3%2Ft22-%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29-%2C32%2B%2C34%2B%2C35%3F%2C36-%2C37%2B%2C38-%2C40%2B%2C41-%2C42-%2C43-%2Fm1%2Fs1,135.0,10.0,3.0,-1.76170003414154,14.0,3.10358691215515,1.99500000476837,4.32000017166138,62.0,210.588500976562 +InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,26.0,4.0,10.0,0.126900002360344,3.0,0.0161036103963852,2.60800004005432,2.23000001907349,13.0,25.5104007720947 +InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29,38.0,10.0,13.0,-1.62650001049042,7.0,2.64550232887268,2.30800008773804,2.23000001907349,19.0,45.4058990478516 +InChI%3D1S%2FC16H13N3O3%2Fc1-18-14-8-7-12%2819%2821%2922%299-13%2814%2916%2817-10-15%2818%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3,35.0,2.0,20.0,-0.886500000953674,2.0,0.785882234573364,3.64299988746643,2.55999994277954,24.0,27.1891002655029 +InChI%3D1S%2FC16H14F3N3O2S%2Fc1-10-13%2820-7-6-14%2810%2924-9-16%2817%2C18%2919%298-25%2823%2915-21-11-4-2-3-5-12%2811%2922-15%2Fh2-7H%2C8-9H2%2C1H3%2C%28H%2C21%2C22%29,38.0,6.0,8.0,1.08800005912781,6.0,1.18374395370483,2.85500001907349,2.23000001907349,27.0,32.1454010009766 +InChI%3D1S%2FC28H46O%2Fc1-19%282%2920%283%299-10-22%285%2926-15-16-27-23%288-7-17-28%2826%2C27%296%2912-13-24-18-25%2829%2914-11-21%2824%294%2Fh9-10%2C12-13%2C19-22%2C25-27%2C29H%2C7-8%2C11%2C14-18H2%2C1-6H3%2Fb10-9%2B%2C23-12-%2C24-13%3F%2Ft20-%2C21-%2C22%2B%2C25-%2C26%2B%2C27-%2C28%2B%2Fm0%2Fs1,75.0,9.0,4.0,1.95959997177124,5.0,3.84003210067749,10.0609998703003,4.42999982833862,31.0,123.60179901123 +InChI%3D1S%2FC24H30N2O2S%2Fc1-18%2828%2920-7-8-24-22%2817-20%2926%2821-5-2-3-6-23%2821%2929-24%2913-4-12-25-14-9-19%2810-15-25%2911-16-27%2Fh2-3%2C5-8%2C17%2C19%2C27H%2C4%2C9-16H2%2C1H3,59.0,3.0,15.0,-1.49730002880096,7.0,2.24190735816956,4.25,3.54999995231628,32.0,64.934700012207 +InChI%3D1S%2FC22H31NO%2Fc1-16%282%2923%2817%283%294%2914-13-20%2819-9-7-6-8-10-19%2921-15-18%285%2911-12-22%2821%2924%2Fh6-12%2C15-17%2C20%2C24H%2C13-14H2%2C1-5H3%2Ft20-%2Fm1%2Fs1,55.0,10.0,7.0,-0.108000002801418,7.0,0.0116640003398061,7.80600023269653,3.66000008583069,25.0,52.7588005065918 +InChI%3D1S%2FC10H12N4O5S.Na%2Fc1-14-7-4-8%2815%296%2812-13-10%2811%2916%292-5%287%293-9%2814%2920%2817%2C18%2919%3B%2Fh2%2C4%2C9H%2C3H2%2C1H3%2C%28H3%2C11%2C13%2C16%29%28H%2C17%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1%2Fb12-6%2B%3B,32.0,5.0,13.0,,3.0,,0.40599998831749,1.35000002384186,21.0, +InChI%3D1S%2FC6H12O6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-12H%2Ft1-%2C2-%2C3-%2C4%2B%2C5-%2C6%3F%2Fm1%2Fs1,24.0,0.0,0.0,-3.06419992446899,0.0,9.38932132720947,-1.45799994468689,1.46000003814697,12.0,35.7750015258789 +InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2914-9-7-5-4-6-8-11-16%282%2917-12-10-13-18%2820%2915-17%2Fh10%2C12-13%2C15-16H%2C3-9%2C11%2C14H2%2C1-2H3,51.0,15.0,6.0,0.377499997615814,12.0,0.142506256699562,8.46300029754639,3.22000002861023,22.0,65.2342987060547 +InChI%3D1S%2FC24H29NO4%2Fc1-5-26-21-10-9-17%2814-22%2821%2927-6-2%2913-20-19-16-24%2829-8-4%2923%2828-7-3%2915-18%2819%2911-12-25-20%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3,58.0,3.0,12.0,1.11559998989105,10.0,1.24456334114075,5.05499982833862,3.54999995231628,31.0,51.193000793457 +InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3,57.0,14.0,6.0,-0.456999987363815,9.0,0.208848997950554,8.5939998626709,3.66000008583069,27.0,54.9981994628906 +InChI%3D1S%2FC29H40NO4.BrH%2Fc1-3-4-18-33-26-14-10-22%2811-15-26%2916-17-30%282%2924-12-13-25%2830%2920-27%2819-24%2934-29%2832%2928%2821-31%2923-8-6-5-7-9-23%3B%2Fh5-11%2C14-15%2C24-25%2C27-28%2C31H%2C3-4%2C12-13%2C16-21H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft24-%2C25-%2C27-%2C28-%2C30%2B%3B%2Fm1.%2Fs1,75.0,6.0,7.0,,12.0,,7.73600006103516,3.99000000953674,37.0, +InChI%3D1S%2FC24H28N2O5%2Fc1-2-31-24%2830%2920%2814-12-17-8-4-3-5-9-17%2925-19-15-13-18-10-6-7-11-21%2818%2926%2823%2819%2929%2916-22%2827%2928%2Fh3-11%2C19-20%2C25H%2C2%2C12-16H2%2C1H3%2C%28H%2C27%2C28%29%2Ft19-%2C20-%2Fm0%2Fs1,59.0,9.0,9.0,-2.0006000995636,10.0,4.00240039825439,6.27600002288818,3.32999992370605,33.0,61.0046005249023 +InChI%3D1S%2FC12H9N3O%2Fc1-8-11%289-2-4-14-5-3-9%296-10%287-13%2912%2816%2915-8%2Fh2-6H%2C1H3%2C%28H%2C15%2C16%29,25.0,2.0,15.0,0.0138999996706843,1.0,0.000193209998542443,1.35000002384186,2.33999991416931,17.0,14.4956998825073 +InChI%3D1S%2FC19H23NO3%2Fc1-14%2819%2822%2915-7-4-3-5-8-15%2920-12-11-18%2821%2916-9-6-10-17%2813-16%2923-2%2Fh3-10%2C13-14%2C19-20%2C22H%2C11-12H2%2C1-2H3%2Ft14-%2C19-%2Fm0%2Fs1,46.0,9.0,9.0,-1.19939994812012,8.0,1.43856036663055,3.99399995803833,3.10999989509583,24.0,40.4822998046875 +InChI%3D1S%2FC18H23NO3%2Fc1-13%2812-22-17-6-4-3-5-7-17%2919-14%282%2918%2821%2915-8-10-16%2820%2911-9-15%2Fh3-11%2C13-14%2C18-21H%2C12H2%2C1-2H3,45.0,9.0,7.0,-1.5320999622345,7.0,2.34733033180237,3.73699998855591,3.0,23.0,36.7515983581543 +InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3,37.0,9.0,8.0,-1.00979995727539,6.0,1.01969599723816,1.73199999332428,2.55999994277954,19.0,35.5013008117676 +InChI%3D1S%2FC24H20I6N4O8%2Fc1-31-21%2837%299-13%2825%2911%2823%2839%2940%2917%2829%2919%2815%289%2927%2933-7%2835%295-3-4-6-8%2836%2934-20-16%2828%2910%2822%2838%2932-2%2914%2826%2912%2818%2820%2930%2924%2841%2942%2Fh3-6H2%2C1-2H3%2C%28H%2C31%2C37%29%28H%2C32%2C38%29%28H%2C33%2C35%29%28H%2C34%2C36%29%28H%2C39%2C40%29%28H%2C41%2C42%29,62.0,10.0,15.0,6.74020004272461,11.0,45.4302978515625,6.92399978637695,2.11999988555908,43.0,157.776000976562 +InChI%3D1S%2FC19H19N%2Fc1-20-12-11-16-15-9-5-6-10-17%2815%2919%2818%2816%2913-20%2914-7-3-2-4-8-14%2Fh2-10%2C19H%2C11-13H2%2C1H3,39.0,0.0,8.0,0.536899983882904,1.0,0.288261622190475,6.41200017929077,3.44000005722046,23.0,33.9967994689941 +InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3-%2C4%3F%2C5-%2C6%3F%2Fm1%2Fs1,24.0,2.0,0.0,-2.51340007781982,1.0,6.31717967987061,-1.69700002670288,1.46000003814697,12.0,35.9234008789062 +InChI%3D1S%2FC11H14N4O4%2Fc1-13-9-8%2810%2816%2914%282%2911%2813%2917%2915%286-12-9%295-7-18-3-4-19-7%2Fh6-7H%2C3-5H2%2C1-2H3,33.0,0.0,6.0,-0.674600005149841,2.0,0.455085158348083,-1.04100000858307,1.78999996185303,21.0,49.7277984619141 +InChI%3D1S%2FC23H20N2O3S%2Fc26-22-21%2816-17-29%2828%2920-14-8-3-9-15-20%2923%2827%2925%2819-12-6-2-7-13-19%2924%2822%2918-10-4-1-5-11-18%2Fh1-15%2C21H%2C16-17H2,49.0,4.0,18.0,-2.21189999580383,6.0,4.89250183105469,4.96199989318848,3.32999992370605,32.0,35.2935981750488 +InChI%3D1S%2FC3H6O3%2Fc1-2%284%293%285%296%2Fh2%2C4H%2C1H3%2C%28H%2C5%2C6%29,12.0,6.0,3.0,-0.805899977684021,1.0,0.649474799633026,-0.591000020503998,1.46000003814697,5.0,19.0053997039795 +InChI%3D1S%2FC21H22N2O5S%2Fc1-4-28-13-10-9-11-7-5-6-8-12%2811%2914%2813%2917%2824%2922-15-18%2825%2923-16%2820%2826%2927%2921%282%2C3%2929-19%2815%2923%2Fh5-10%2C15-16%2C19H%2C4H2%2C1-3H3%2C%28H%2C22%2C24%29%28H%2C26%2C27%29%2Ft15-%2C16%2B%2C19-%2Fm1%2Fs1,51.0,3.0,14.0,0.245100006461143,5.0,0.060074009001255,3.89299988746643,2.89000010490417,32.0,66.1314010620117 +InChI%3D1S%2FC22H26N2O2%2Fc1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17%2815%2924%2819%2816%2920%2822%2923%2918%2814-22%2921%2825%2926-4-2%2Fh5-6%2C8-9%2C14%2C20H%2C3-4%2C7%2C10-13H2%2C1-2H3%2Ft20-%2C22%2B%2Fm1%2Fs1,52.0,5.0,14.0,0.24889999628067,4.0,0.0619512088596821,5.11600017547607,3.44000005722046,30.0,69.7465972900391 +InChI%3D1S%2FC16H19N3O4S%2Fc1-16%282%2911%2815%2822%2923%2919-13%2821%2910%2814%2819%2924-16%2918-12%2820%299%2817%298-6-4-3-5-7-8%2Fh3-7%2C9-11%2C14H%2C17H2%2C1-2H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10-%2C11%2B%2C14-%2Fm1%2Fs1,43.0,5.0,6.0,-0.86049997806549,4.0,0.740460276603699,-0.545000016689301,2.33999991416931,26.0,62.0666999816895 +InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,21.0,0.0,12.0,0.279900014400482,0.0,0.0783440098166466,2.14100003242493,2.45000004768372,14.0,25.2175006866455 +InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3%2B%2C4%3F%2C5-%2C6%3F%2Fm1%2Fs1,24.0,2.0,0.0,-2.51340007781982,1.0,6.31717967987061,-1.69700002670288,1.46000003814697,12.0,35.9234008789062 +InChI%3D1S%2FC20H10Br4O10S2.2Na%2Fc21-15-13-14%2816%2822%2918%2824%2917%2815%2923%2920%2834-19%2813%2927%2C7-1-3-9%2825%2911%285-7%2935%2828%2C29%2930%298-2-4-10%2826%2912%286-8%2936%2831%2C32%2933%3B%3B%2Fh1-6%2C25-26H%2C%28H%2C28%2C29%2C30%29%28H%2C31%2C32%2C33%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,46.0,3.0,11.0,,4.0,,5.23600006103516,1.67999994754791,39.0, +InChI%3D1S%2FC29H33FO6%2Fc1-17-13-22-21-10-9-19-14-20%2832%2911-12-26%2819%2C2%2928%2821%2C30%2923%2833%2915-27%2822%2C3%2929%2817%2C24%2834%2916-31%2936-25%2835%2918-7-5-4-6-8-18%2Fh4-8%2C11-12%2C14%2C17%2C21-23%2C31%2C33H%2C9-10%2C13%2C15-16H2%2C1-3H3%2Ft17-%2C21-%2C22-%2C23-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1,69.0,4.0,9.0,-0.57480001449585,5.0,0.330395042896271,4.19500017166138,3.88000011444092,40.0,105.022399902344 +InChI%3D1S%2FC20H24N2OS%2Fc1-4-22%285-2%2913-12-21-16-11-10-14%283%2920-18%2816%2919%2823%2915-8-6-7-9-17%2815%2924-20%2Fh6-11%2C21H%2C4-5%2C12-13H2%2C1-3H3,48.0,8.0,15.0,1.29019999504089,6.0,1.66461598873138,4.21600008010864,3.22000002861023,26.0,54.2449989318848 +InChI%3D1S%2FC12H26N4O6%2Fc13-2-5-8%2818%299%2819%296%2816%2912%2821-5%2922-11-4%2815%291-3%2814%297%2817%2910%2811%2920%2Fh3-12%2C17-20H%2C1-2%2C13-16H2%2Ft3-%2C4%3F%2C5-%2C6-%2C7%2B%2C8-%2C9-%2C10-%2C11-%2C12%3F%2Fm1%2Fs1,48.0,2.0,0.0,-5.7467999458313,3.0,33.0257110595703,-3.51999998092651,1.67999994754791,23.0,71.7674026489258 +InChI%3D1S%2FC16H21N3%2Fc1-18%282%2912-13-19%2816-10-6-7-11-17-16%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3,40.0,7.0,7.0,0.265799999237061,6.0,0.0706496387720108,4.26000022888184,2.89000010490417,20.0,31.326000213623 +InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19-%2C20-%2C21-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1,73.0,8.0,6.0,-0.0333999991416931,8.0,0.0011155599495396,2.6949999332428,3.66000008583069,39.0,129.645294189453 +InChI%3D1S%2FC24H27NO5S%2Fc1-13-14%282%2921-18%2815%283%2920%2813%2926%299-10-24%284%2C30-21%2912-29-17-7-5-16%286-8-17%2911-19-22%2827%2925-23%2828%2931-19%2Fh5-8%2C19%2C26H%2C9-12H2%2C1-4H3%2C%28H%2C25%2C27%2C28%29,58.0,2.0,8.0,1.8047000169754,5.0,3.2569420337677,4.17399978637695,3.32999992370605,34.0,73.5746994018555 +InChI%3D1S%2FC10H13N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%2B%2C8%2B%2Fm0%2Fs1,36.0,3.0,4.0,-4.2487998008728,3.0,18.0523014068604,-0.907000005245209,1.57000005245209,20.0,55.6195983886719 +InChI%3D1S%2FC7H16N2O2.ClH%2Fc1-6%2811-7%288%2910%295-9%282%2C3%294%3B%2Fh6H%2C5H2%2C1-4H3%2C%28H-%2C8%2C10%29%3B1H,29.0,11.0,4.0,-1.33309996128082,4.0,1.77715563774109,1.13100004196167,1.67999994754791,10.0,38.6487998962402 +InChI%3D1S%2FC16H23NO2%2Fc1-3-19-15%2818%2916%2814-8-5-4-6-9-14%2910-7-12-17%282%2913-11-16%2Fh4-6%2C8-9H%2C3%2C7%2C10-13H2%2C1-2H3,42.0,5.0,6.0,0.0604999996721745,4.0,0.00366024998947978,4.18900012969971,2.89000010490417,20.0,49.1506004333496 +InChI%3D1S%2FC16H11ClN4%2Fc17-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2918-9-15-20-19-10-21%2814%2915%2Fh1-8%2C10H%2C9H2,32.0,0.0,19.0,0.439300000667572,1.0,0.192984491586685,4.91200017929077,2.67000007629395,24.0,19.6420993804932 +InChI%3D1S%2FC33H30N4O2%2Fc1-4-9-30-35-31-21%282%2918-24%2832-34-27-12-7-8-13-28%2827%2936%2832%293%2919-29%2831%2937%2830%2920-22-14-16-23%2817-15-22%2925-10-5-6-11-26%2825%2933%2838%2939%2Fh5-8%2C10-19H%2C4%2C9%2C20H2%2C1-3H3%2C%28H%2C38%2C39%29,69.0,3.0,18.0,0.0177999995648861,7.0,0.00031684001442045,9.76500034332275,4.42999982833862,44.0,40.6482009887695 +InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10%2B%2Fm0%2Fs1,27.0,6.0,6.0,-0.827899992465973,3.0,0.685418426990509,2.51999998092651,2.33999991416931,12.0,24.2558002471924 +InChI%3D1S%2FC19H27NO%2Fc1-13%282%297-9-20-10-8-19%284%2914%283%2918%2820%2911-15-5-6-16%2821%2912-17%2815%2919%2Fh5-7%2C12%2C14%2C18%2C21H%2C8-11H2%2C1-4H3%2Ft14-%2C18%2B%2C19%2B%2Fm0%2Fs1,48.0,5.0,7.0,1.80550003051758,2.0,3.25983023643494,4.09100008010864,3.32999992370605,23.0,64.3627014160156 +InChI%3D1S%2FC43H55N5O7%2Fc1-6-39%2852%2921-25-22-42%2838%2851%2955-5%2C33-27%2813-17-47%2823-25%2924-39%2926-11-8-9-12-30%2826%2945-33%2929-19-28-31%2820-32%2829%2954-4%2946%283%2935-41%2828%2915-18-48-16-10-14-40%287-2%2C34%2841%2948%2936%2849%2943%2835%2C53%2937%2844%2950%2Fh8-12%2C14%2C19-20%2C25%2C34-36%2C45%2C49%2C52-53H%2C6-7%2C13%2C15-18%2C21-24H2%2C1-5H3%2C%28H2%2C44%2C50%29%2Ft25-%2C34%2B%2C35-%2C36-%2C39%2B%2C40%3F%2C41-%2C42%2B%2C43%2B%2Fm1%2Fs1,109.0,4.0,8.0,-2.00690007209778,7.0,4.02764749526978,3.8970000743866,4.86999988555908,63.0,146.893096923828 +InChI%3D1S%2FC22H24ClN3OS2.ClH%2Fc23-16-6-7-20-18%2814-16%2926%2817-4-1-2-5-19%2817%2929-20%2911-3-10-25-12-8-22%289-13-25%2924-21%2827%2915-28-22%3B%2Fh1-2%2C4-7%2C14H%2C3%2C8-13%2C15H2%2C%28H%2C24%2C27%29%3B1H,55.0,3.0,13.0,0.870899975299835,4.0,0.758466839790344,5.05800008773804,3.0,33.0,69.9212036132812 +InChI%3D1S%2FC20H28O2%2Fc1-15%288-6-9-16%282%2914-19%2821%2922%2911-12-18-17%283%2910-7-13-20%2818%2C4%295%2Fh6%2C8-9%2C11-12%2C14H%2C7%2C10%2C13H2%2C1-5H3%2C%28H%2C21%2C22%29%2Fb9-6-%2C12-11-%2C15-8-%2C16-14%2B,50.0,13.0,13.0,3.88709998130798,5.0,15.109546661377,6.25400018692017,3.44000005722046,22.0,96.6302032470703 +InChI%3D1S%2FC19H17ClFN3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13-%2C14%2B%2C17-%2Fm1%2Fs1,47.0,3.0,6.0,1.55589997768402,4.0,2.42082476615906,2.50500011444092,2.33999991416931,33.0,68.3615036010742 +InChI%3D1S%2FC14H22N2O3%2Fc1-10%282%2916-8-12%2817%299-19-13-5-3-11%284-6-13%297-14%2815%2918%2Fh3-6%2C10%2C12%2C16-17H%2C7-9H2%2C1-2H3%2C%28H2%2C15%2C18%29,41.0,9.0,7.0,-1.05659997463226,8.0,1.11640357971191,1.81200003623962,2.45000004768372,19.0,48.5269012451172 +InChI%3D1S%2FC14H23N3O10%2Fc18-10%2819%295-15%281-3-16%286-11%2820%2921%297-12%2822%2923%292-4-17%288-13%2824%2925%299-14%2826%2927%2Fh1-9H2%2C%28H%2C18%2C19%29%28H%2C20%2C21%29%28H%2C22%2C23%29%28H%2C24%2C25%29%28H%2C26%2C27%29,50.0,27.0,3.0,-2.12199997901917,16.0,4.50288391113281,-3.32100009918213,1.57000005245209,26.0,86.4493026733398 +InChI%3D1S%2FC22H23ClN2O8%2Fc1-21%2832%297-6-8-15%2825%282%293%2917%2828%2913%2820%2824%2931%2919%2830%2922%288%2C33%2918%2829%2911%287%2916%2827%2912-10%2826%295-4-9%2823%2914%2812%2921%2Fh4-5%2C7-8%2C15%2C26%2C28-29%2C32-33H%2C6H2%2C1-3H3%2C%28H2%2C24%2C31%29%2Ft7-%2C8-%2C15%3F%2C21-%2C22%3F%2Fm0%2Fs1,56.0,3.0,12.0,-2.06850004196167,2.0,4.2786922454834,0.930999994277954,2.67000007629395,36.0,93.1547012329102 +InChI%3D1S%2FC17H17ClO6%2Fc1-8-5-9%2819%296-12%2823-4%2917%288%2916%2820%2913-10%2821-2%297-11%2822-3%2914%2818%2915%2813%2924-17%2Fh6-8H%2C5H2%2C1-4H3%2Ft8-%2C17%3F%2Fm1%2Fs1,41.0,2.0,11.0,-0.295199990272522,3.0,0.0871430411934853,0.91100001335144,2.55999994277954,26.0,64.8328018188477 +InChI%3D1S%2FC14H21N3O3%2Fc1-9%282%2915-7-12-4-3-10-5-11%288-18%2914%2817%2819%2920%296-13%2810%2916-12%2Fh5-6%2C9%2C12%2C15-16%2C18H%2C3-4%2C7-8H2%2C1-2H3,41.0,5.0,10.0,-1.54830002784729,5.0,2.3972327709198,1.75199997425079,2.33999991416931,21.0,47.8450012207031 +InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,43.0,9.0,7.0,0.650699973106384,8.0,0.423410475254059,6.54899978637695,3.10999989509583,22.0,38.2780990600586 +InChI%3D1S%2FC19H17Cl2N3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13-%2C14%2B%2C17-%2Fm1%2Fs1,47.0,3.0,6.0,1.82050001621246,4.0,3.31422019004822,2.64199995994568,2.33999991416931,33.0,73.1045989990234 +InChI%3D1S%2FC22H23ClN2O2%2Fc1-2-27-22%2826%2925-12-9-15%2810-13-25%2920-19-8-7-18%2823%2914-17%2819%296-5-16-4-3-11-24-21%2816%2920%2Fh3-4%2C7-8%2C11%2C14H%2C2%2C5-6%2C9-10%2C12-13H2%2C1H3,50.0,5.0,14.0,1.74880003929138,3.0,3.05830144882202,4.26300001144409,3.32999992370605,30.0,60.3361015319824 +InChI%3D1S%2FC22H24FN3OS%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-10%2C18H%2C3%2C6%2C11-15H2%2C%28H%2C24%2C28%29,52.0,5.0,8.0,-0.091499999165535,6.0,0.00837225001305342,4.98600006103516,3.22000002861023,31.0,51.524600982666 +InChI%3D1S%2FC13H17N%2Fc1-4-10-14%283%2912%282%2911-13-8-6-5-7-9-13%2Fh1%2C5-9%2C12H%2C10-11H2%2C2-3H3%2Ft12-%2Fm1%2Fs1,31.0,8.0,6.0,0.955299973487854,4.0,0.912598073482513,4.47900009155273,2.77999997138977,14.0,35.2331008911133 +InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,26.0,3.0,8.0,0.635599970817566,1.0,0.403987348079681,2.66499996185303,2.33999991416931,12.0,24.2560005187988 +InChI%3D1S%2FC8H15N7O2S3%2Fc9-6%2815-20%2812%2C16%2917%291-2-18-3-5-4-19-8%2813-5%2914-7%2810%2911%2Fh4H%2C1-3H2%2C%28H2%2C9%2C15%29%28H2%2C12%2C16%2C17%29%28H4%2C10%2C11%2C13%2C14%29,35.0,11.0,9.0,-0.643400013446808,9.0,0.413963556289673,0.150999993085861,1.01999998092651,20.0,60.6004981994629 +InChI%3D1S%2FC16H24N2O2%2Fc1-3-13-11%282%2917-14-5-4-12%2816%2819%2915%2813%2914%2910-18-6-8-20-9-7-18%2Fh12%2C17H%2C3-10H2%2C1-2H3,43.0,2.0,1.0,0.766200006008148,3.0,0.587062418460846,1.34700000286102,2.77999997138977,22.0,62.032299041748 +InChI%3D1S%2FC4H10N2%2Fc1-2-6-4-3-5-1%2Fh5-6H%2C1-4H2,16.0,0.0,0.0,-0.794399976730347,0.0,0.631071388721466,-0.772000014781952,1.67999994754791,6.0,25.4487991333008 +InChI%3D1S%2FC23H31NO7%2Fc1-15%285-7-19%2825%2930-13-10-24-8-11-29-12-9-24%294-6-17-21%2826%2920-18%2814-31-23%2820%2927%2916%282%2922%2817%2928-3%2Fh4%2C26H%2C5-14H2%2C1-3H3,62.0,11.0,11.0,1.22060000896454,10.0,1.48986434936523,0.940999984741211,3.10999989509583,33.0,94.2381973266602 +InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29%2Ft14-%2C15%3F%2C16-%2C17%2B%2C18%2B%2C22-%2C23%2B%2Fm0%2Fs1,63.0,7.0,5.0,1.89079999923706,2.0,3.57512474060059,5.31099987030029,3.54999995231628,30.0,105.400901794434 +InChI%3D1S%2FC20H25NOS%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3,48.0,11.0,6.0,1.06420004367828,9.0,1.1325216293335,7.69500017166138,3.32999992370605,24.0,48.6599998474121 +InChI%3D1S%2FC27H49N7O17%2Fc1-6-27%2845%2C5-37%2921%2824%2846-6%2950-20-10%2834-26%2830%2931%2913%2839%299%2833-25%2828%2929%2914%2840%2917%2820%2943%2951-22-11%2832-2%2915%2841%2919%288%284-36%2948-22%2949-23-18%2844%2916%2842%2912%2838%297%283-35%2947-23%2Fh5-24%2C32%2C35-36%2C38-45H%2C3-4H2%2C1-2H3%2C%28H4%2C28%2C29%2C33%29%28H4%2C30%2C31%2C34%29%2Ft6-%2C7%2B%2C8-%2C9%2B%2C10-%2C11-%2C12%2B%2C13%2B%2C14%3F%2C15-%2C16-%2C17%2B%2C18-%2C19-%2C20%2B%2C21-%2C22-%2C23-%2C24%3F%2C27%2B%2Fm0%2Fs1,100.0,4.0,4.0,-7.59730005264282,14.0,57.7189674377441,-5.47700023651123,1.78999996185303,54.0,154.575607299805 +InChI%3D1S%2FC26H28ClNO%2Fc1-3-28%284-2%2919-20-29-24-17-15-22%2816-18-24%2925%2821-11-7-5-8-12-21%2926%2827%2923-13-9-6-10-14-23%2Fh5-18H%2C3-4%2C19-20H2%2C1-2H3,57.0,8.0,21.0,1.228600025177,9.0,1.50945794582367,9.8459997177124,3.99000000953674,31.0,47.7372016906738 +InChI%3D1S%2FC12H16N2O3%2Fc1-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914%282%2910%2812%2916%2Fh6H%2C3-5%2C7H2%2C1-2H3%2C%28H%2C13%2C15%2C17%29,33.0,0.0,8.0,-0.578999996185303,1.0,0.335240989923477,1.51499998569489,2.23000001907349,18.0,58.7187004089355 +InChI%3D1S%2FC18H20N2%2Fc1-19-10-11-20-17-9-5-3-7-15%2817%2912-14-6-2-4-8-16%2814%2918%2820%2913-19%2Fh2-9%2C18H%2C10-13H2%2C1H3,40.0,0.0,7.0,0.5692999958992,0.0,0.324102491140366,4.71999979019165,3.22000002861023,23.0,33.6282005310059 +InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3%2Ft14-%2C15%2B%2C16-%2C17-%2C18-%2C22-%2C23-%2C24-%2Fm0%2Fs1,58.0,4.0,6.0,1.27230000495911,3.0,1.61874723434448,3.28200006484985,3.54999995231628,33.0,111.438301086426 +InChI%3D1S%2FC25H43N13O10%2Fc26-3-1-2-10%2827%294-16%2841%2932-12-6-30-23%2847%2918%2811-5-17%2842%2937-24%2828%2936-11%2938-20%2844%2913%287-31-25%2829%2948%2933-21%2845%2914%288-39%2935-22%2846%2915%289-40%2934-19%2812%2943%2Fh7%2C10-12%2C14-15%2C17-18%2C39-40%2C42H%2C1-6%2C8-9%2C26-27H2%2C%28H%2C30%2C47%29%28H%2C32%2C41%29%28H%2C33%2C45%29%28H%2C34%2C43%29%28H%2C35%2C46%29%28H%2C38%2C44%29%28H3%2C28%2C36%2C37%29%28H3%2C29%2C31%2C48%29%2Ft10%3F%2C11-%2C12%3F%2C14%3F%2C15%3F%2C17%2B%2C18%3F%2Fm1%2Fs1,91.0,10.0,12.0,-6.01830005645752,11.0,36.2199363708496,-3.62800002098083,1.67999994754791,49.0,153.272094726562 +InChI%3D1S%2FC18H13ClN2O%2Fc1-2-10-21-16-9-8-14%2819%2911-15%2816%2918%2820-12-17%2821%2922%2913-6-4-3-5-7-13%2Fh1%2C3-9%2C11H%2C10%2C12H2,35.0,3.0,17.0,0.578599989414215,2.0,0.33477795124054,4.11999988555908,3.0,24.0,36.698600769043 +InChI%3D1S%2FC13H17N5O8S2%2Fc1-5-7%2810%2820%2918%285%2928%2823%2C24%2925%2916-9%2819%298%286-4-27-12%2814%2915-6%2917-26-13%282%2C3%2911%2821%2922%2Fh4-5%2C7H%2C1-3H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%28H%2C23%2C24%2C25%29%2Fb17-8%2B%2Ft5-%2C7%3F%2Fm0%2Fs1,47.0,12.0,7.0,-0.832599997520447,7.0,0.693222761154175,-0.652999997138977,1.24000000953674,29.0,93.1943969726562 +InChI%3D1S%2FC22H29NO5%2Fc1-7-22%2823%282%293%2C17-11-9-8-10-12-17%2915-28-21%2824%2916-13-18%2825-4%2920%2827-6%2919%2814-16%2926-5%2Fh8-14H%2C7%2C15H2%2C1-6H3,57.0,10.0,12.0,-0.538699984550476,10.0,0.29019770026207,4.59499979019165,3.22000002861023,29.0,58.3559989929199 +InChI%3D1S%2FC12H9F3N2O2%2Fc1-7-10%286-16-19-7%2911%2818%2917-9-4-2-8%283-5-9%2912%2813%2C14%2915%2Fh2-6H%2C1H3%2C%28H%2C17%2C18%29,28.0,3.0,9.0,0.748700022697449,4.0,0.560551702976227,3.54299998283386,2.00999999046326,20.0,21.2276992797852 +InChI%3D1S%2FC9H13NO%2Fc1-7%2810%296-8-2-4-9%2811%295-3-8%2Fh2-5%2C7%2C11H%2C6%2C10H2%2C1H3,24.0,4.0,7.0,-1.14690005779266,2.0,1.31537961959839,1.56400001049042,2.23000001907349,11.0,20.9486999511719 +InChI%3D1S%2FC10H20N2S4%2Fc1-5-11%286-2%299%2813%2915-16-10%2814%2912%287-3%298-4%2Fh5-8H2%2C1-4H3,36.0,16.0,3.0,4.15740013122559,9.0,17.2839756011963,3.24000000953674,1.89999997615814,15.0,86.4160003662109 +InChI%3D1S%2FC20H25NO3%2Fc1-3-21%284-2%2915-16-24-19%2822%2920%2823%2C17-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C23H%2C3-4%2C15-16H2%2C1-2H3,49.0,12.0,6.0,-0.0944999977946281,9.0,0.00893025007098913,5.50899982452393,3.22000002861023,25.0,43.4626998901367 +InChI%3D1S%2FC5H8N4O3S2%2Fc1-3%2810%297-4-9%282%298-5%2813-4%2914%286%2C11%2912%2Fh1-2H3%2C%28H2%2C6%2C11%2C12%29,24.0,4.0,6.0,-0.663600027561188,2.0,0.440364956855774,-1.45000004768372,1.01999998092651,14.0,50.1852989196777 +InChI%3D1S%2FC5H9N3%2Fc6-2-1-5-3-7-4-8-5%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C7%2C8%29,16.0,3.0,0.0,-1.02629995346069,2.0,1.05329167842865,-0.340999990701675,1.67999994754791,8.0,11.8458995819092 +InChI%3D1S%2FC5H6N2OS%2Fc1-3-2-4%288%297-5%289%296-3%2Fh2H%2C1H3%2C%28H2%2C6%2C7%2C8%2C9%29,15.0,0.0,7.0,0.490200012922287,0.0,0.24029603600502,0.925999999046326,1.57000005245209,9.0,16.9887008666992 +InChI%3D1S%2FC12H14N2O2%2Fc1-3-12%289-7-5-4-6-8-9%2910%2815%2914%282%2911%2816%2913-12%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C13%2C16%29,30.0,2.0,6.0,-0.617299973964691,2.0,0.381059288978577,2.88700008392334,2.33999991416931,17.0,32.7290000915527 +InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3%2Ft17-%2C18%2B%2C19%2B%2C20-%2C21-%2C22-%2Fm0%2Fs1,53.0,4.0,4.0,1.32949995994568,2.0,1.76757025718689,3.98399996757507,3.54999995231628,28.0,93.5656967163086 +InChI%3D1S%2FC12H17NO3%2Fc1-4-13%285-2%2912%2815%299-6-7-10%2814%2911%288-9%2916-3%2Fh6-8%2C14H%2C4-5H2%2C1-3H3,33.0,7.0,11.0,-0.441500008106232,5.0,0.194922253489494,1.40400004386902,2.33999991416931,16.0,37.3028984069824 +InChI%3D1S%2FC10H13N3%2Fc11-10%2812%2913-6-5-8-3-1-2-4-9%288%297-13%2Fh1-4H%2C5-7H2%2C%28H3%2C11%2C12%29,26.0,3.0,6.0,-0.190699994564056,1.0,0.0363664887845516,3.24499988555908,2.23000001907349,14.0,25.0758991241455 +InChI%3D1S%2FC27H22Cl2N4%2Fc1-17%282%2930-24-16-27-25%2815-23%2824%2931-20-11-7-18%2828%298-12-20%2932-22-5-3-4-6-26%2822%2933%2827%2921-13-9-19%2829%2910-14-21%2Fh3-17%2C31H%2C1-2H3,61.0,4.0,14.0,-0.015599999576807,4.0,0.000243360002059489,6.97399997711182,3.76999998092651,37.0,60.013599395752 +InChI%3D1S%2FC24H31N3OS%2Fc1-3-7-22%2828%2919-10-11-24-21%2818-19%2927%2820-8-4-5-9-23%2820%2929-24%2913-6-12-26-16-14-25%282%2915-17-26%2Fh4-5%2C8-11%2C18H%2C3%2C6-7%2C12-17H2%2C1-2H3,60.0,5.0,15.0,0.0483999997377396,7.0,0.00234256009571254,4.32800006866455,3.54999995231628,32.0,72.0745010375977 +InChI%3D1S%2FC24H30N2O8%2Fc1-5-25-26-24%2829%2921-15%2810-27%2922%2828%2914-9-17-16%2833-11-34-17%298-13%2814%2920%2821%2912-6-18%2830-2%2923%2832-4%2919%287-12%2931-3%2Fh6-9%2C15%2C20-22%2C25%2C27-28H%2C5%2C10-11H2%2C1-4H3%2C%28H%2C26%2C29%29%2Ft15-%2C20%2B%2C21-%2C22-%2Fm0%2Fs1,64.0,6.0,9.0,-2.01909995079041,8.0,4.07676458358765,2.34800004959106,3.0,37.0,74.5744018554688 +InChI%3D1S%2FC16H24N2O3%2Fc1-16%282%2C3%2917-9-11%2819%2910-21-14-6-4-5-13-12%2814%297-8-15%2820%2918-13%2Fh4-6%2C11%2C17%2C19H%2C7-10H2%2C1-3H3%2C%28H%2C18%2C20%29,45.0,10.0,10.0,-0.0127999996766448,6.0,0.000163839999004267,2.09400010108948,2.67000007629395,22.0,57.6974983215332 +InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2911-9-7-5-4-6-8-10-16%282%2917-12-14-18%2820%2915-13-17%2Fh12-16H%2C3-11H2%2C1-2H3,51.0,15.0,6.0,0.377499997615814,12.0,0.142506256699562,8.46300029754639,3.22000002861023,22.0,65.2342987060547 +InChI%3D1S%2FC18H28N2O%2Fc1-4-5-12-20-13-7-6-11-16%2820%2918%2821%2919-17-14%282%299-8-10-15%2817%293%2Fh8-10%2C16H%2C4-7%2C11-13H2%2C1-3H3%2C%28H%2C19%2C21%29,49.0,4.0,9.0,-0.307000011205673,5.0,0.094249002635479,4.9060001373291,3.10999989509583,22.0,55.5825004577637 +InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1,20.0,4.0,7.0,-1.75929999351501,2.0,3.09513640403748,-0.178000003099442,1.46000003814697,12.0,36.4584999084473 +InChI%3D1S%2FC27H33N3O6S%2Fc1-27%282%2923-14-11-20%2836-3%2917-22%2823%2924%2831%2930%2825%2827%2932%2916-15-18-9-12-21%2813-10-18%2937%2834%2C35%2929-26%2833%2928-19-7-5-4-6-8-19%2Fh9-14%2C17%2C19H%2C4-8%2C15-16H2%2C1-3H3%2C%28H2%2C28%2C29%2C33%29,70.0,7.0,13.0,-1.73090004920959,8.0,2.99601483345032,4.40100002288818,3.32999992370605,40.0,79.9691009521484 +InChI%3D1S%2FC23H25N5O5%2Fc1-30-18-11-14-15%2812-19%2818%2931-2%2925-23%2826-21%2814%2924%2928-9-7-27%288-10-28%2922%2829%2920-13-32-16-5-3-4-6-17%2816%2933-20%2Fh3-6%2C11-12%2C20H%2C7-10%2C13H2%2C1-2H3%2C%28H2%2C24%2C25%2C26%29,60.0,2.0,12.0,-1.31110000610352,5.0,1.71898317337036,1.61199998855591,2.89000010490417,37.0,70.4795989990234 +InChI%3D1S%2FC14H20ClN3O3S%2Fc1-9-4-3-5-10%282%2918%289%2917-14%2819%2911-6-7-12%2815%2913%288-11%2922%2816%2C20%2921%2Fh6-10H%2C3-5H2%2C1-2H3%2C%28H%2C17%2C19%29%28H2%2C16%2C20%2C21%29,42.0,3.0,14.0,-1.12279999256134,3.0,1.26067984104156,2.68799996376038,2.11999988555908,23.0,55.4595985412598 +InChI%3D1S%2FC9H13N3O3%2Fc10-7-3-4-12%289%2814%2911-7%298-2-1-6%285-13%2915-8%2Fh3-4%2C6%2C8%2C13H%2C1-2%2C5H2%2C%28H2%2C10%2C11%2C14%29%2Ft6-%2C8%2B%2Fm0%2Fs1,32.0,1.0,3.0,-1.25590002536774,2.0,1.57728481292725,-0.728999972343445,1.78999996185303,16.0,48.1049995422363 +InChI%3D1S%2FC16H16ClNO2S%2Fc1-20-16%2819%2915%2812-4-2-3-5-13%2812%2917%2918-8-6-14-11%2810-18%297-9-21-14%2Fh2-5%2C7%2C9%2C15H%2C6%2C8%2C10H2%2C1H3%2Ft15-%2Fm0%2Fs1,37.0,5.0,6.0,0.937399983406067,4.0,0.878718733787537,3.88599991798401,2.67000007629395,23.0,43.9542999267578 +InChI%3D1S%2FC10H16N2O4S3%2Fc1-3-12-8-4-6%282%2918%2813%2C14%2910-7%288%295-9%2817-10%2919%2811%2C15%2916%2Fh5-6%2C8%2C12H%2C3-4H2%2C1-2H3%2C%28H2%2C11%2C15%2C16%29%2Ft6-%2C8-%2Fm0%2Fs1,35.0,3.0,12.0,-1.17630004882812,3.0,1.38368165493011,-0.508000016212463,1.57000005245209,20.0,56.4733009338379 +InChI%3D1S%2F2C26H28N3.C23H16O6%2Fc2%2A1-19-17-21%2820%282%2929%2819%2924-9-7-6-8-10-24%2911-13-23-14-12-22-18-25%2827%283%294%2915-16-26%2822%2928%2823%295%3B24-20-16%2814-7-3-1-5-12%2814%299-18%2820%2922%2826%2927%2911-17-15-8-4-2-6-13%2815%2910-19%2821%2817%2925%2923%2828%2929%2Fh2%2A6-18H%2C1-5H3%3B1-10%2C24-25H%2C11H2%2C%28H%2C26%2C27%29%28H%2C28%2C29%29%2Fq2%2A%2B1%3B%2Fp-2,159.0,3.0,14.0,-1.13919997215271,12.0,1.29777669906616,21.6380004882812,8.39000034332275,96.0,108.378997802734 +InChI%3D1S%2FC21H25ClN2O3%2Fc22-19-8-6-18%287-9-19%2921%2817-4-2-1-3-5-17%2924-12-10-23%2811-13-24%2914-15-27-16-20%2825%2926%2Fh1-9%2C21H%2C10-16H2%2C%28H%2C25%2C26%29,52.0,7.0,6.0,0.194199994206429,8.0,0.0377136394381523,4.21400022506714,3.10999989509583,29.0,56.4831008911133 +InChI%3D1S%2FC17H15N5O%2Fc1-3-21%2812%282%2923%2915-6-4-5-13%289-15%2916-7-8-19-17-14%2810-18%2911-20-22%2816%2917%2Fh4-9%2C11H%2C3H2%2C1-2H3,38.0,6.0,20.0,-0.224299997091293,4.0,0.0503104887902737,2.20900011062622,2.67000007629395,25.0,31.9529991149902 +InChI%3D1S%2FC12H13NO2%2Fc1-12%289-6-4-3-5-7-9%298-10%2814%2913%282%2911%2812%2915%2Fh3-7H%2C8H2%2C1-2H3,28.0,0.0,6.0,-0.349000006914139,1.0,0.121800996363163,2.57299995422363,2.45000004768372,16.0,30.7514991760254 +InChI%3D1S%2FC14H16N2O4%2Fc1-4-20-14%2819%2911-7%282%295-9-10%286-17%2915-16-13%2818%2912%289%298%2811%293%2Fh5%2C17H%2C4%2C6H2%2C1-3H3%2C%28H%2C16%2C18%29,36.0,5.0,14.0,0.636600017547607,4.0,0.405259549617767,1.49500000476837,2.33999991416931,21.0,37.127799987793 +InChI%3D1S%2FC20H22ClN%2Fc21-20-10-8-17%289-11-20%2916-19%2818-6-2-1-3-7-18%2912-15-22-13-4-5-14-22%2Fh1-3%2C6-12H%2C4-5%2C13-16H2,44.0,4.0,8.0,0.944700002670288,5.0,0.892458081245422,7.34999990463257,3.44000005722046,24.0,42.1729011535645 +InChI%3D1S%2FC18H27NO2%2Fc1-4-14%282%2917%2815-8-6-5-7-9-15%2918%2820%2921-16-10-12-19%283%2913-11-16%2Fh5-9%2C14%2C16-17H%2C4%2C10-13H2%2C1-3H3,48.0,8.0,6.0,-0.826799988746643,6.0,0.683598220348358,5.73600006103516,3.10999989509583,22.0,54.4990997314453 +InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20-%2C21%3F%2Fm0%2Fs1,54.0,4.0,3.0,0.554099977016449,2.0,0.3070268034935,3.77500009536743,3.44000005722046,27.0,91.5783004760742 +InChI%3D1S%2FC17H21N4O9P%2Fc1-7-3-9-10%284-8%287%292%2921%2815-13%2818-9%2916%2825%2920-17%2826%2919-15%295-11%2822%2914%2824%2912%2823%296-30-31%2827%2C28%2929%2Fh3-4%2C11-12%2C14%2C22-24H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C25%2C26%29%28H2%2C27%2C28%2C29%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1,58.0,13.0,8.0,-1.9021999835968,7.0,3.6183648109436,-2.7279999256134,1.78999996185303,33.0,79.6380996704102 +InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3-%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1,33.0,7.0,6.0,-1.73989999294281,4.0,3.02725195884705,-2.33699989318848,1.24000000953674,18.0,56.0966987609863 +InChI%3D1S%2FC23H32N2O%2Fc1-18%282%2925%285%2C19%283%294%2917-16-23%2822%2824%2926%2C20-12-8-6-9-13-20%2921-14-10-7-11-15-21%2Fh6-15%2C18-19H%2C16-17H2%2C1-5H3%2C%28H-%2C24%2C26%29%2Fp%2B1,59.0,14.0,6.0,-1.42139995098114,8.0,2.02037787437439,8.25,3.66000008583069,27.0,56.348201751709 +InChI%3D1S%2FC29H44O3%2Fc1-3-4-5-6-7-8-9-10-11-28%2831%2932-27-17-16-26-25-14-12-21-20-22%2830%2913-15-23%2821%2924%2825%2918-19-29%2826%2C27%292%2Fh13%2C15%2C20%2C24-27%2C30H%2C3-12%2C14%2C16-19H2%2C1-2H3%2Ft24-%2C25%3F%2C26%2B%2C27%2B%2C29%2B%2Fm1%2Fs1,76.0,13.0,7.0,-2.31859993934631,11.0,5.37590599060059,10.1909999847412,4.32000017166138,35.0,90.0639038085938 +InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-10%2C12-13%2C19-20H%2C6%2C11%2C14H2%2C1H3,41.0,5.0,14.0,-0.0020000000949949,4.0,3.99999998990097e-06,8.58699989318848,3.44000005722046,22.0,35.1706008911133 +InChI%3D1S%2FC22H28NO3.BrH%2Fc1-3-23%282%2916-10-15-20%2817-23%2926-21%2824%2922%2825%2C18-11-6-4-7-12-18%2919-13-8-5-9-14-19%3B%2Fh4-9%2C11-14%2C20%2C25H%2C3%2C10%2C15-17H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1,55.0,5.0,6.0,,6.0,,6.28800010681152,3.32999992370605,28.0, +InChI%3D1S%2FC10H12N4OS%2Fc1-7%2815%2913-9-4-2-8%283-5-9%296-12-14-10%2811%2916%2Fh2-6H%2C1H3%2C%28H%2C13%2C15%29%28H3%2C11%2C14%2C16%29,28.0,6.0,14.0,0.446900010108948,4.0,0.199719607830048,3.76500010490417,1.89999997615814,16.0,38.8431015014648 +InChI%3D1S%2FC18H19N3O5S%2Fc1-2-3-10-8-27-17-13%2816%2824%2921%2817%2914%2810%2918%2825%2926%2920-15%2823%2912%2819%299-4-6-11%2822%297-5-9%2Fh2-7%2C12-13%2C17%2C22H%2C8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Fb3-2%2B%2Ft12-%2C13-%2C17-%2Fm1%2Fs1,46.0,5.0,10.0,-1.01349997520447,5.0,1.02718222141266,-1.57700002193451,2.45000004768372,29.0,76.7300033569336 +InChI%3D1S%2FC25H28O3%2Fc1-25-14-13-20-19-10-8-18%2828-24%2827%2916-5-3-2-4-6-16%2915-17%2819%297-9-21%2820%2922%2825%2911-12-23%2825%2926%2Fh2-6%2C8%2C10%2C15%2C20-23%2C26H%2C7%2C9%2C11-14H2%2C1H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%3F%2Fm1%2Fs1,56.0,3.0,15.0,-0.100699998438358,3.0,0.0101404897868633,8.13199996948242,3.88000011444092,32.0,56.3232002258301 +InChI%3D1S%2FC16H19ClO2%2Fc17-15-9-13-11%286-7-12%2813%2916%2818%2919%298-14%2815%2910-4-2-1-3-5-10%2Fh8-10%2C12H%2C1-7H2%2C%28H%2C18%2C19%29,38.0,2.0,6.0,0.0188999995589256,2.0,0.000357209995854646,5.16400003433228,2.89000010490417,21.0,46.214900970459 +InChI%3D1S%2FC22H23ClN6O%2Fc1-2-3-8-20-24-21%2823%2919%2814-30%2929%2820%2913-15-9-11-16%2812-10-15%2917-6-4-5-7-18%2817%2922-25-27-28-26-22%2Fh4-7%2C9-12%2C30H%2C2-3%2C8%2C13-14H2%2C1H3%2C%28H%2C25%2C26%2C27%2C28%29,52.0,4.0,12.0,-0.702899992465973,8.0,0.494068413972855,7.09800004959106,3.0,33.0,35.6226997375488 +InChI%3D1S%2FC21H21ClN2O8%2Fc1-24%282%2914-7-5-6-10%2816%2827%2912-9%2825%294-3-8%2822%2911%2812%2915%286%2926%2918%2829%2921%287%2C32%2919%2830%2913%2817%2814%2928%2920%2823%2931%2Fh3-4%2C6-7%2C14-15%2C25-26%2C28-29%2C32H%2C5H2%2C1-2H3%2C%28H2%2C23%2C31%29%2Ft6-%2C7-%2C14%3F%2C15-%2C21%3F%2Fm0%2Fs1,53.0,3.0,12.0,-2.54530000686646,2.0,6.47855186462402,0.513999998569489,2.55999994277954,35.0,87.7470016479492 +InChI%3D1S%2FC22H29N3S2%2Fc1-3-26-18-9-10-22-20%2817-18%2925%2819-7-4-5-8-21%2819%2927-22%2912-6-11-24-15-13-23%282%2914-16-24%2Fh4-5%2C7-10%2C17H%2C3%2C6%2C11-16H2%2C1-2H3,56.0,3.0,13.0,1.45739996433258,6.0,2.12401485443115,4.72900009155273,3.32999992370605,30.0,71.1529998779297 +InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C49-53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29%2Fb12-11-%2C19-14%2B%2C22-13%3F%2C44-20-%2Ft21%3F%2C23-%2C24-%2C25-%2C29%2B%2C34%2B%2C35-%2C39-%2C43%2B%2Fm1%2Fs1,117.0,4.0,26.0,-0.573099970817566,5.0,0.328443616628647,2.12199997901917,4.42999982833862,63.0,182.721694946289 +InChI%3D1S%2FC21H30NO4.BrH%2Fc1-3-4-10-22%282%2917-11-15%2812-18%2822%2920-19%2817%2926-20%2925-21%2824%2916%2813-23%2914-8-6-5-7-9-14%3B%2Fh5-9%2C15-20%2C23H%2C3-4%2C10-13H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft15-%2C16-%2C17-%2C18%2B%2C19%3F%2C20%2B%2C22%3F%3B%2Fm1.%2Fs1,57.0,6.0,6.0,,8.0,,4.50500011444092,3.10999989509583,29.0, +InChI%3D1S%2FC13H8F2O3%2Fc14-8-2-3-9%2811%2815%296-8%297-1-4-12%2816%2910%285-7%2913%2817%2918%2Fh1-6%2C16H%2C%28H%2C17%2C18%29,26.0,2.0,16.0,0.259299993515015,2.0,0.067236490547657,3.38100004196167,2.33999991416931,19.0,11.5289001464844 +InChI%3D1S%2FC18H18ClN3O%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3,41.0,0.0,16.0,0.275499999523163,1.0,0.0759002491831779,4.30800008773804,2.89000010490417,26.0,43.3768005371094 +InChI%3D1S%2FC17H19N3%2Fc1-3-7-15%288-4-1%2913-20%2814-17-18-11-12-19-17%2916-9-5-2-6-10-16%2Fh1-10H%2C11-14H2%2C%28H%2C18%2C19%29,39.0,3.0,7.0,-0.854600012302399,5.0,0.730341136455536,4.94600009918213,3.0,22.0,30.1084003448486 +InChI%3D1S%2FC15H11N3O3%2Fc19-14-9-16-15%2810-4-2-1-3-5-10%2912-8-11%2818%2820%2921%296-7-13%2812%2917-14%2Fh1-8H%2C9H2%2C%28H%2C17%2C19%29,32.0,2.0,20.0,-0.435600012540817,2.0,0.189747363328934,4.08799982070923,2.45000004768372,23.0,22.5272998809814 +InChI%3D1S%2FC20H26N2%2Fc1-20%282%2916-10-5-7-12-18%2816%2922%2815-9-14-21%283%294%2919-13-8-6-11-17%2819%2920%2Fh5-8%2C10-13H%2C9%2C14-15H2%2C1-4H3,48.0,6.0,13.0,0.880400002002716,4.0,0.775104165077209,6.0,3.44000005722046,24.0,43.1501007080078 +InChI%3D1S%2FC9H5I2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H,18.0,0.0,11.0,2.3798999786377,0.0,5.66392421722412,3.12199997901917,2.00999999046326,14.0,30.4570007324219 +InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,38.0,0.0,9.0,-1.29659998416901,2.0,1.68117153644562,4.90999984741211,3.22000002861023,27.0,13.7238998413086 +InChI%3D1S%2FC13H16N2O2%2Fc1-2-13%288-7-11%2816%2915-12%2813%2917%299-3-5-10%2814%296-4-9%2Fh3-6H%2C2%2C7-8%2C14H2%2C1H3%2C%28H%2C15%2C16%2C17%29,33.0,2.0,7.0,-1.56690001487732,2.0,2.45517563819885,1.93099999427795,2.45000004768372,18.0,39.8255996704102 +InChI%3D1S%2FC10H11I2NO3%2Fc1-2-3-16-9%2814%296-13-4-7%2811%2910%2815%298%2812%295-13%2Fh4-5H%2C2-3%2C6H2%2C1H3,31.0,7.0,3.0,1.78059995174408,5.0,3.17053627967834,1.60199999809265,1.89999997615814,16.0,76.5826034545898 +InChI%3D1S%2FC22H25N2OS.C10H16O4S%2Fc25-22-23%2814-17-8-3-1-4-9-17%2919-16-26-13-7-12-20%2826%2921%2819%2924%2822%2915-18-10-5-2-6-11-18%3B1-9%282%297-3-4-10%289%2C8%2811%295-7%296-15%2812%2C13%2914%2Fh1-6%2C8-11%2C19-21H%2C7%2C12-16H2%3B7H%2C3-6H2%2C1-2H3%2C%28H%2C12%2C13%2C14%29%2Fq%2B1%3B%2Fp-1,81.0,5.0,6.0,-2.18889999389648,6.0,4.79128313064575,7.25500011444092,3.99000000953674,46.0,96.4225006103516 +InChI%3D1S%2FC9H13N3O5%2Fc10-5-1-2-12%289%2816%2911-5%298-7%2815%296%2814%294%283-13%2917-8%2Fh1-2%2C4%2C6-8%2C13-15H%2C3H2%2C%28H2%2C10%2C11%2C16%29%2Ft4-%2C6-%2C7%2B%2C8%3F%2Fm1%2Fs1,34.0,2.0,3.0,-1.70130002498627,2.0,2.89442157745361,-1.93099999427795,1.57000005245209,18.0,54.2067985534668 +InChI%3D1S%2FC19H21NO%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3,42.0,6.0,15.0,0.0710999965667725,3.0,0.00505521008744836,5.10500001907349,3.32999992370605,23.0,37.3450012207031 +InChI%3D1S%2FC10H13NO4%2Fc1-10%2811%2C9%2814%2915%295-6-2-3-7%2812%298%2813%294-6%2Fh2-4%2C12-13H%2C5%2C11H2%2C1H3%2C%28H%2C14%2C15%29%2Ft10-%2Fm0%2Fs1,28.0,7.0,8.0,-1.43449997901917,3.0,2.05779027938843,-2.00099992752075,2.00999999046326,15.0,29.3607006072998 +InChI%3D1S%2FC17H26N4O3S2%2Fc1-12%2816%285-6-22%2926-25-10-15-4-3-7-24-15%2921%2811-23%299-14-8-19-13%282%2920-17%2814%2918%2Fh8%2C11%2C15%2C22H%2C3-7%2C9-10H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%29,56.0,13.0,5.0,-1.54799997806549,10.0,2.39630389213562,0.51800000667572,2.33999991416931,27.0,103.040802001953 +InChI%3D1S%2FC16H19N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1,43.0,5.0,8.0,0.305099993944168,4.0,0.0930860117077827,-2.71099996566772,2.33999991416931,26.0,92.6535034179688 +InChI%3D1S%2FC3H9O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29,19.0,10.0,5.0,-1.34389996528625,4.0,1.80606722831726,-3.10899996757507,1.01999998092651,9.0,30.8153991699219 +InChI%3D1S%2FC17H19N3O%2Fc1-13-5-7-14%288-6-13%2920%2812-17-18-9-10-19-17%2915-3-2-4-16%2821%2911-15%2Fh2-8%2C11%2C21H%2C9-10%2C12H2%2C1H3%2C%28H%2C18%2C19%29,40.0,2.0,14.0,-0.684499979019165,4.0,0.468540251255035,3.73000001907349,2.89000010490417,23.0,33.4628982543945 +InChI%3D1S%2FC15H15NO2%2Fc1-10-6-5-9-13%2811%2810%292%2916-14-8-4-3-7-12%2814%2915%2817%2918%2Fh3-9%2C16H%2C1-2H3%2C%28H%2C17%2C18%29,33.0,3.0,16.0,0.623799979686737,3.0,0.38912644982338,5.01100015640259,2.77999997138977,19.0,21.5235004425049 +InChI%3D1S%2FC7H4ClNO2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,15.0,0.0,8.0,0.129899993538857,0.0,0.0168740097433329,1.51699995994568,1.78999996185303,12.0,9.79930019378662 +InChI%3D1S%2FC10H15NO.ClH%2Fc1-4-11%282%2C3%299-6-5-7-10%2812%298-9%3B%2Fh5-8H%2C4H2%2C1-3H3%3B1H,29.0,5.0,8.0,-1.68069994449615,2.0,2.82475256919861,2.17600011825562,2.23000001907349,12.0,21.3838996887207 +InChI%3D1S%2FC4H13NO7P2%2Fc5-3-1-2-4%286%2C13%287%2C8%299%2914%2810%2C11%2912%2Fh6H%2C1-3%2C5H2%2C%28H2%2C7%2C8%2C9%29%28H2%2C10%2C11%2C12%29,27.0,14.0,4.0,-2.457200050354,5.0,6.03783178329468,-4.2979998588562,0.800000011920929,13.0,42.8429985046387 +InChI%3D1S%2FC25H30NO3.ClH%2Fc27-24%2825%2828%2C19-9-3-1-4-10-19%2920-11-5-2-6-12-20%2929-23-17-21-13-14-22%2818-23%2926%2821%2915-7-8-16-26%3B%2Fh1-6%2C9-12%2C21-23%2C28H%2C7-8%2C13-18H2%3B1H%2Fq%2B1%3B%2Fp-1%2Ft21-%2C22%2B%2C23%2B%3B,60.0,5.0,6.0,,5.0,,6.61299991607666,3.66000008583069,33.0, +InChI%3D1S%2FC5H4N4O%2Fc10-5-3-1-8-9-4%283%296-2-7-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29,13.0,0.0,9.0,-0.460299998521805,0.0,0.211876094341278,-0.405000001192093,1.46000003814697,11.0,2.56459999084473 +InChI%3D1S%2FC21H21ClN4OS%2Fc22-17-13-18-15%2812-20%2827%2923-18%2911-14%2817%295-6-25-7-9-26%2810-8-25%2921-16-3-1-2-4-19%2816%2928-24-21%2Fh1-4%2C11%2C13H%2C5-10%2C12H2%2C%28H%2C23%2C27%29,49.0,2.0,10.0,1.62810003757477,4.0,2.65070962905884,4.04400014877319,3.0,32.0,60.2434997558594 +InChI%3D1S%2FC19H35N%2Fc1-3-9-16%2810-4-1%2919%2817-11-5-2-6-12-17%2915-18-13-7-8-14-20-18%2Fh16-20H%2C1-15H2,55.0,2.0,0.0,-2.69149994850159,4.0,7.24417209625244,7.47100019454956,3.44000005722046,22.0,68.2818984985352 +InChI%3D1S%2FC2H6O3S2%2Fc3-7%284%2C5%292-1-6%2Fh6H%2C1-2H2%2C%28H%2C3%2C4%2C5%29,13.0,7.0,4.0,-0.00730000017210841,2.0,5.32900012331083e-05,-0.230000004172325,1.12999999523163,6.0,29.035400390625 +InChI%3D1S%2FC18H18N8O7S3%2Fc1-25-18%2822-12%2828%2913%2829%2923-25%2936-4-6-3-34-15-9%2814%2830%2926%2815%2910%286%2916%2831%2932%2921-11%2827%298%2824-33-2%297-5-35-17%2819%2920-7%2Fh5%2C9%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C27%29%28H%2C23%2C29%29%28H%2C31%2C32%29%2Ft9-%2C15-%2Fm1%2Fs1,58.0,7.0,8.0,-0.610700011253357,9.0,0.372954487800598,-0.0219999998807907,1.46000003814697,39.0,127.352897644043 +InChI%3D1S%2FC16H20N2%2Fc1-18%282%2913-11-15%2814-8-4-3-5-9-14%2916-10-6-7-12-17-16%2Fh3-10%2C12%2C15H%2C11%2C13H2%2C1-2H3,38.0,6.0,6.0,-0.0929000005126,5.0,0.0086304098367691,5.24700021743774,3.0,19.0,25.4881000518799 +InChI%3D1S%2FC16H17N3O7S2%2Fc1-25-16%2818-10%2820%295-9-3-2-4-27-9%2913%2823%2919-11%2812%2821%2922%298%286-26-15%2817%2924%297-28-14%2816%2919%2Fh2-4%2C14H%2C5-7H2%2C1H3%2C%28H2%2C17%2C24%29%28H%2C18%2C20%29%28H%2C21%2C22%29%2Ft14-%2C16%2B%2Fm1%2Fs1,45.0,5.0,8.0,0.677999973297119,8.0,0.459684014320374,0.679000020027161,1.89999997615814,30.0,83.7455978393555 +InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,32.0,7.0,7.0,1.23710000514984,4.0,1.53041636943817,3.59400010108948,2.33999991416931,19.0,44.3660011291504 +InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1,26.0,12.0,0.0,-2.94020009040833,5.0,8.64477634429932,-3.89599990844727,1.46000003814697,11.0,38.4035987854004 +InChI%3D1S%2FC26H29N3O6%2Fc1-17-22%2825%2830%2934-4%2924%2820-11-8-12-21%2815-20%2929%2832%2933%2923%2818%282%2927-17%2926%2831%2935-14-13-28%283%2916-19-9-6-5-7-10-19%2Fh5-12%2C15%2C24%2C27H%2C13-14%2C16H2%2C1-4H3,64.0,8.0,11.0,0.199200004339218,11.0,0.0396806411445141,6.6710000038147,3.32999992370605,37.0,79.1621017456055 +InChI%3D1S%2FC22H28N2O2%2Fc1-2-26-21%2825%2922%2819-6-4-3-5-7-19%2913-16-24%2817-14-22%2915-12-18-8-10-20%2823%2911-9-18%2Fh3-11H%2C2%2C12-17%2C23H2%2C1H3,54.0,5.0,7.0,-0.0432999990880489,7.0,0.00187488994561136,5.43400001525879,3.44000005722046,28.0,53.5148010253906 +InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,29.0,2.0,8.0,-1.12360000610352,2.0,1.26247692108154,3.76099991798401,2.23000001907349,18.0,34.4664001464844 +InChI%3D1S%2FC21H29NO2%2Fc23-17-7-6-16-12-19-21%2824%299-2-1-8-20%2821%2C18%2816%2913-17%2910-11-22%2819%2914-15-4-3-5-15%2Fh6-7%2C13%2C15%2C19%2C23-24H%2C1-5%2C8-12%2C14H2%2Ft19-%2C20%2B%2C21-%2Fm1%2Fs1,53.0,0.0,7.0,-1.61220002174377,2.0,2.59918880462646,3.66300010681152,3.44000005722046,28.0,64.8486022949219 +InChI%3D1S%2FC19H23NO2%2Fc1-14%282%2912-16-7-9-17%2810-8-16%2915%283%2919%2821%2922-13-18-6-4-5-11-20-18%2Fh4-11%2C14-15H%2C12-13H2%2C1-3H3,45.0,6.0,6.0,1.10940003395081,7.0,1.23076832294464,6.92700004577637,3.22000002861023,23.0,39.3804016113281 +InChI%3D1S%2FC7H10N4O2S%2Fc8-5-1-3-6%284-2-5%2914%2812%2C13%2911-7%289%2910%2Fh1-4H%2C8H2%2C%28H4%2C9%2C10%2C11%29,24.0,7.0,14.0,-1.64460003376007,3.0,2.70470905303955,0.232999995350838,1.46000003814697,14.0,24.0634002685547 +InChI%3D1S%2FC22H30O5%2Fc1-12-8-14-15-5-7-22%2827%2C18%2826%2911-23%2921%2815%2C3%2910-17%2825%2919%2814%2920%282%296-4-13%2824%299-16%2812%2920%2Fh4%2C6%2C9%2C12%2C14-15%2C17%2C19%2C23%2C25%2C27H%2C5%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2C14%3F%2C15-%2C17-%2C19%2B%2C20%3F%2C21%3F%2C22-%2Fm0%2Fs1,57.0,4.0,6.0,-0.979900002479553,2.0,0.960204005241394,1.52499997615814,3.32999992370605,30.0,101.279098510742 +InChI%3D1S%2FC31H48O6%2Fc1-17%282%299-8-10-20%2828%2835%2936%2926-22-15-24%2834%2927-29%285%2913-12-23%2833%2918%283%2921%2829%2911-14-30%2827%2C6%2931%2822%2C7%2916-25%2826%2937-19%284%2932%2Fh9%2C18%2C21-25%2C27%2C33-34H%2C8%2C10-16H2%2C1-7H3%2C%28H%2C35%2C36%29%2Fb26-20-%2Ft18-%2C21-%2C22-%2C23%2B%2C24%2B%2C25-%2C27-%2C29%3F%2C30-%2C31-%2Fm0%2Fs1,85.0,10.0,5.0,1.62230002880096,6.0,2.63185739517212,5.90399980545044,4.21000003814697,40.0,142.003402709961 +InChI%3D1S%2FC15H22N2O4%2Fc1-19-12-7-10%288-13%2820-2%2914%2812%2921-3%2915%2818%2917-11-5-4-6-16-9-11%2Fh7-8%2C11%2C16H%2C4-6%2C9H2%2C1-3H3%2C%28H%2C17%2C18%29,43.0,3.0,12.0,-1.37269997596741,5.0,1.88430523872375,1.13199996948242,2.45000004768372,22.0,52.2759017944336 +InChI%3D1S%2FC18H22I3N3O8%2Fc1-5%2826%2922-12-9%2819%298%2810%2820%2914%2811%2812%2921%2924%283%296%282%2927%2917%2830%2923-13-16%2829%2915%2828%297%284-25%2932-18%2813%2931%2Fh7%2C13%2C15-16%2C18%2C25%2C28-29%2C31H%2C4H2%2C1-3H3%2C%28H%2C22%2C26%29%28H%2C23%2C30%29%2Ft7-%2C13%3F%2C15-%2C16-%2C18%3F%2Fm1%2Fs1,54.0,5.0,15.0,1.41919994354248,6.0,2.01412868499756,1.37399995326996,1.89999997615814,33.0,116.043800354004 +InChI%3D1S%2FC11H16N2O2%2Fc1-3-10-8%286-15-11%2810%2914%294-9-5-12-7-13%289%292%2Fh5%2C7-8%2C10H%2C3-4%2C6H2%2C1-2H3%2Ft8-%2C10-%2Fm0%2Fs1,31.0,2.0,5.0,-0.589100003242493,3.0,0.347038805484772,1.307000041008,2.23000001907349,16.0,39.6986999511719 +InChI%3D1S%2FC20H17FO3S%2Fc1-12-17%289-13-3-6-15%287-4-13%2925%282%2924%2916-8-5-14%2821%2910-19%2816%2918%2812%2911-20%2822%2923%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C22%2C23%29,42.0,4.0,18.0,0.846599996089935,4.0,0.716731548309326,4.25799989700317,3.10999989509583,27.0,49.9818992614746 +InChI%3D1S%2FC25H36O3%2Fc1-3-4-5-6-7-24%2827%2928-23-13-12-22-21-10-8-17-16-18%2826%299-11-19%2817%2920%2821%2914-15-25%2822%2C23%292%2Fh9%2C11%2C16%2C20-23%2C26H%2C3-8%2C10%2C12-15H2%2C1-2H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%2B%2Fm1%2Fs1,64.0,9.0,7.0,-1.16659998893738,7.0,1.36095559597015,7.91499996185303,3.88000011444092,31.0,78.4175033569336 +InChI%3D1S%2FC16H23NO%2Fc1-16-8-4-2-3-5-12%2815%2816%2917%299-11-6-7-13%2818%2910-14%2811%2916%2Fh6-7%2C10%2C12%2C15%2C18H%2C2-5%2C8-9%2C17H2%2C1H3%2Ft12%3F%2C15-%2C16%2B%2Fm0%2Fs1,41.0,0.0,7.0,-1.51929998397827,0.0,2.30827260017395,3.90300011634827,3.0,20.0,43.9165992736816 +InChI%3D1S%2FC48H74O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16-18%2C20-24H2%2C1-10H3%2Fb13-12%2B%2C27-15%2B%2C32-14-%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37-%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%2B%2C47%2B%2C48%3F%2Fm0%2Fs1,136.0,4.0,4.0,-1.48699998855591,8.0,2.21116900444031,2.83899998664856,5.19999980926514,68.0,218.311492919922 +InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%2B%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1,83.0,4.0,12.0,-0.443800002336502,10.0,0.196958437561989,2.89499998092651,3.88000011444092,49.0,99.9578018188477 +InChI%3D1S%2FC18H26N2O4%2Fc1-3-12-20%2813-4-2%2918%2824%2915%2810-11-16%2821%2922%2919-17%2823%2914-8-6-5-7-9-14%2Fh5-9%2C15H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C19%2C23%29%28H%2C21%2C22%29,50.0,18.0,9.0,-1.81669998168945,11.0,3.30039882659912,3.51300001144409,2.77999997138977,24.0,60.9658012390137 +InChI%3D1S%2FC25H22O10%2Fc1-32-17-6-11%282-4-14%2817%2928%2924-20%2810-26%2933-16-5-3-12%287-18%2816%2934-24%2925-23%2831%2922%2830%2921-15%2829%298-13%2827%299-19%2821%2935-25%2Fh2-9%2C20%2C23-29%2C31H%2C10H2%2C1H3%2Ft20-%2C23-%2C24-%2C25%2B%2Fm0%2Fs1,57.0,2.0,11.0,-3.37610006332397,4.0,11.3980512619019,0.660000026226044,3.10999989509583,39.0,48.57080078125 +InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3,36.0,5.0,6.0,-1.45669996738434,4.0,2.12197494506836,4.21500015258789,2.67000007629395,18.0,35.7549018859863 +InChI%3D1S%2FC29H38FN3O3%2Fc1-20%282%2928-23-12-11-22%2830%2918-21%2823%2913-14-29%2828%2C36-27%2834%2919-35-4%2915-17-33%283%2916-7-10-26-31-24-8-5-6-9-25%2824%2932-26%2Fh5-6%2C8-9%2C11-12%2C18%2C20%2C28H%2C7%2C10%2C13-17%2C19H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft28-%2C29-%2Fm0%2Fs1,73.0,7.0,8.0,-0.115199998021126,12.0,0.0132710402831435,6.5460000038147,3.88000011444092,39.0,75.4636001586914 +InChI%3D1S%2FC10H12N2O3%2Fc1-3-5-10%286-4-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh3-4H%2C1-2%2C5-6H2%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,27.0,3.0,8.0,0.626900017261505,4.0,0.393003612756729,1.8289999961853,2.00999999046326,15.0,53.9194984436035 +InChI%3D1S%2FC11H16ClN5%2Fc1-7%282%2915-10%2813%2917-11%2814%2916-9-5-3-8%2812%294-6-9%2Fh3-7H%2C1-2H3%2C%28H5%2C13%2C14%2C15%2C16%2C17%29,33.0,10.0,13.0,0.368800014257431,6.0,0.136013433337212,3.76900005340576,2.00999999046326,17.0,40.7103004455566 +InChI%3D1S%2FC18H18N2O%2Fc1-12%282%2920-16-11-13%283%299-10-15%2816%2917%2819-18%2820%2921%2914-7-5-4-6-8-14%2Fh4-12H%2C1-3H3,41.0,2.0,10.0,0.016100000590086,2.0,0.000259210006333888,5.66499996185303,3.10999989509583,23.0,34.037899017334 +InChI%3D1S%2FC45H76N2O15%2Fc1-25-22-31%2820-21-48%2941%2862-44-39%2851%2938%2847%2810%2911%2940%2828%284%2958-44%2961-37-24-45%287%2C53%2943%2852%2929%285%2957-37%2942%2854-12%2934%2859-30%286%2949%2923-35%2850%2955-26%282%2916-14-13-15-17-33%2825%2960-36-19-18-32%2846%288%299%2927%283%2956-36%2Fh13-15%2C17%2C21%2C25-29%2C31-34%2C36-44%2C51-53H%2C16%2C18-20%2C22-24H2%2C1-12H3%2Fb14-13%2B%2C17-15-%2Ft25%3F%2C26-%2C27-%2C28-%2C29%2B%2C31%2B%2C32%2B%2C33%2B%2C34-%2C36-%2C37%2B%2C38-%2C39-%2C40-%2C41%2B%2C42%2B%2C43%2B%2C44%2B%2C45-%2Fm1%2Fs1,138.0,4.0,4.0,-1.89869999885559,13.0,3.60506176948547,2.66899991035461,4.53999996185303,65.0,222.069900512695 +InChI%3D1S%2FC5H10O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-9H%2C1H2%2Ft2-%2C3%2B%2C4-%2C5%3F%2Fm1%2Fs1,20.0,0.0,0.0,-2.00270009040833,0.0,4.01080751419067,-1.4539999961853,1.46000003814697,10.0,29.9608993530273 +InChI%3D1S%2FC21H27NO4%2Fc23-14-5-4-13-10-16-21%2825%297-6-15%2824%2919-20%2821%2C17%2813%2918%2814%2926-19%298-9-22%2816%2911-12-2-1-3-12%2Fh4-5%2C12%2C15-16%2C19%2C23-25H%2C1-3%2C6-11H2%2Ft15%3F%2C16-%2C19%2B%2C20%2B%2C21%3F%2Fm1%2Fs1,53.0,0.0,8.0,-2.10179996490479,2.0,4.41756343841553,1.44700002670288,3.22000002861023,31.0,68.0511016845703 +InChI%3D1S%2FC19H25NO2%2Fc1-14%288-9-16-6-4-3-5-7-16%2920-15%282%2919%2822%2917-10-12-18%2821%2913-11-17%2Fh3-7%2C10-15%2C19-22H%2C8-9H2%2C1-2H3,47.0,9.0,7.0,-1.61520004272461,7.0,2.60887098312378,5.64099979400635,3.22000002861023,23.0,38.1972999572754 +InChI%3D1S%2FC17H23NO4%2Fc1-18%2821%2913-7-8-14%2818%2910-15%289-13%2922-17%2820%2916%2811-19%2912-5-3-2-4-6-12%2Fh2-6%2C13-16%2C19H%2C7-11H2%2C1H3%2Ft13-%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1,45.0,6.0,6.0,-2.46919989585876,5.0,6.09694862365723,2.77999997138977,2.77999997138977,24.0,45.7028007507324 +InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29,30.0,9.0,7.0,-0.160500004887581,6.0,0.0257602501660585,3.68300008773804,2.00999999046326,15.0,29.0634002685547 +InChI%3D1S%2FC8H13N3O4S%2Fc1-3-16%2814%2C15%295-4-10-7%282%299-6-8%2810%2911%2812%2913%2Fh6H%2C3-5H2%2C1-2H3,29.0,7.0,2.0,-0.0313999988138676,5.0,0.000985960010439157,0.898999989032745,1.46000003814697,16.0,39.7389984130859 +InChI%3D1S%2FC9H11FN2O5%2Fc10-4-2-12%289%2816%2911-8%284%2915%297-1-5%2814%296%283-13%2917-7%2Fh2%2C5-7%2C13-14H%2C1%2C3H2%2C%28H%2C11%2C15%2C16%29%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,32.0,2.0,4.0,-1.83459997177124,2.0,3.36575722694397,-1.53400003910065,1.57000005245209,18.0,49.0126991271973 +InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-17%2C19%2C21%2C23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%2B%2C19%3F%2Fm0%2Fs1,57.0,9.0,3.0,-2.04130005836487,12.0,4.16690587997437,2.78999996185303,3.10999989509583,25.0,90.424201965332 +InChI%3D1S%2FC20H20N6O7S4%2Fc1-7-10%283-11%2827%2928%2937-20%2822-7%2936-5-8-4-34-17-13%2816%2830%2926%2817%2914%288%2918%2831%2932%2924-15%2829%2912%2825-33-2%299-6-35-19%2821%2923-9%2Fh6%2C13%2C17H%2C3-5H2%2C1-2H3%2C%28H2%2C21%2C23%29%28H%2C24%2C29%29%28H%2C27%2C28%29%28H%2C31%2C32%29%2Fb25-12%2B%2Ft13-%2C17-%2Fm1%2Fs1,59.0,7.0,8.0,1.20329999923706,10.0,1.44793093204498,0.757000029087067,1.78999996185303,40.0,126.816703796387 +InChI%3D1S%2FC21H36NO.ClH%2Fc1-4-22%285-2%2C6-3%2918-17-21%2823%2C19-13-9-7-10-14-19%2920-15-11-8-12-16-20%3B%2Fh7%2C9-10%2C13-14%2C20%2C23H%2C4-6%2C8%2C11-12%2C15-18H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,60.0,11.0,6.0,,8.0,,6.68599987030029,3.44000005722046,24.0, +InChI%3D1S%2FC4H6N4O3S2%2Fc1-2%289%296-3-7-8-4%2812-3%2913%285%2C10%2911%2Fh1H3%2C%28H2%2C5%2C10%2C11%29%28H%2C6%2C7%2C9%29,19.0,4.0,12.0,-0.417600005865097,2.0,0.174389764666557,-1.26400005817413,0.910000026226044,13.0,32.8358993530273 +InChI%3D1S%2FC20H24N.CH4O4S%2Fc1-21%282%2915-13-19%2814-16-21%2920%2817-9-5-3-6-10-17%2918-11-7-4-8-12-18%3B1-5-6%282%2C3%294%2Fh3-12H%2C13-16H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,54.0,6.0,14.0,-1.71290004253387,3.0,2.93402647972107,5.45300006866455,3.10999989509583,28.0,53.2882995605469 +InChI%3D1S%2FC18H13ClFN3%2Fc1-11-21-9-13-10-22-18%2814-4-2-3-5-16%2814%2920%2915-8-12%2819%296-7-17%2815%2923%2811%2913%2Fh2-9H%2C10H2%2C1H3,36.0,0.0,19.0,0.970300018787384,1.0,0.941482067108154,4.94700002670288,2.89000010490417,26.0,26.4132995605469 +InChI%3D1S%2FC9H5Cl2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H,18.0,0.0,11.0,1.02830004692078,0.0,1.05740094184875,2.0460000038147,2.00999999046326,14.0,13.7958002090454 +InChI%3D1S%2FC23H30O3%2Fc1-8-26-23%2824%2914-17%283%2911-9-10-16%282%2912-13-21-18%284%2915-22%2825-7%2920%286%2919%2821%295%2Fh9-15H%2C8H2%2C1-7H3,56.0,15.0,18.0,4.79309988021851,8.0,22.9738082885742,6.77299976348877,3.66000008583069,26.0,89.8675994873047 +InChI%3D1S%2FC27H30Cl2O6%2Fc1-15-11-19-18-7-6-16-12-17%2830%298-9-24%2816%2C2%2926%2818%2C29%2921%2831%2913-25%2819%2C3%2927%2815%2C22%2832%2914-28%2935-23%2833%2920-5-4-10-34-20%2Fh4-5%2C8-10%2C12%2C15%2C18-19%2C21%2C31H%2C6-7%2C11%2C13-14H2%2C1-3H3%2Ft15-%2C18%2B%2C19%2B%2C21%2B%2C24%2B%2C25%3F%2C26%2B%2C27%2B%2Fm1%2Fs1,65.0,4.0,8.0,0.740299999713898,5.0,0.548044085502625,3.58299994468689,3.54999995231628,39.0,114.435600280762 +InChI%3D1S%2FC29H34O6%2Fc1-2-32-29-26%2830%2928%2834-20-24-16-10-5-11-17-24%2927%2835-29%2925%2833-19-23-14-8-4-9-15-23%2921-31-18-22-12-6-3-7-13-22%2Fh3-17%2C25-30H%2C2%2C18-21H2%2C1H3%2Ft25%3F%2C26%3F%2C27-%2C28-%2C29-%2Fm1%2Fs1,69.0,6.0,6.0,-0.901099979877472,13.0,0.811981201171875,7.80999994277954,3.99000000953674,38.0,56.2685012817383 +InChI%3D1S%2FC18H37N5O9%2Fc19-3-9-8%2825%292-7%2822%2917%2829-9%2931-15-5%2820%291-6%2821%2916%2814%2815%2928%2932-18-13%2827%2911%2823%2912%2826%2910%284-24%2930-18%2Fh5-18%2C24-28H%2C1-4%2C19-23H2%2Ft5-%2C6%2B%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1,69.0,2.0,0.0,-7.56059980392456,6.0,57.1626739501953,-5.38100004196167,1.89999997615814,34.0,102.787300109863 +InChI%3D1S%2FC12H15NO3%2Fc1-8-3-9%282%295-10%284-8%2915-7-11-6-13-12%2814%2916-11%2Fh3-5%2C11H%2C6-7H2%2C1-2H3%2C%28H%2C13%2C14%29,31.0,2.0,7.0,1.34769999980927,3.0,1.81629526615143,3.125,2.33999991416931,17.0,35.086498260498 +InChI%3D1S%2FC16H14ClN3O%2Fc1-18-15-10-20%2821%2916%2811-5-3-2-4-6-11%2913-9-12%2817%297-8-14%2813%2919-15%2Fh2-9H%2C10H2%2C1H3%2C%28H%2C18%2C19%29,35.0,2.0,18.0,-0.43189999461174,1.0,0.186537608504295,4.91400003433228,2.67000007629395,23.0,29.6387004852295 +InChI%3D1S%2FC14H19N5O4%2Fc1-9%2820%2922-6-11%287-23-10%282%2921%293-4-19-8-17-12-5-16-14%2815%2918-13%2812%2919%2Fh5%2C8%2C11H%2C3-4%2C6-7H2%2C1-2H3%2C%28H2%2C15%2C16%2C18%29,44.0,13.0,4.0,-1.16639995574951,9.0,1.36048901081085,0.962000012397766,2.00999999046326,24.0,62.0931015014648 +InChI%3D1S%2FC13H20N2O2%2Fc16-11-13%2817%2910-14-6-8-15%289-7-14%2912-4-2-1-3-5-12%2Fh1-5%2C13%2C16-17H%2C6-11H2%2Ft13-%2Fm0%2Fs1,37.0,5.0,7.0,-0.875,4.0,0.765625,0.867999970912933,2.45000004768372,18.0,42.5962982177734 +InChI%3D1S%2FC21H25N%2Fc1-21%282%2C3%2915-8-5-9-16-22%284%2917-19-13-10-12-18-11-6-7-14-20%2818%2919%2Fh5-7%2C9-14H%2C16-17H2%2C1-4H3,47.0,12.0,10.0,2.75309991836548,4.0,7.57955980300903,7.69600009918213,3.66000008583069,23.0,56.0279006958008 +InChI%3D1S%2FC16H16N4O%2Fc17-15%2818%2912-5-2-10%283-6-12%291-4-11-7-8-13%2816%2819%2920%299-14%2811%2921%2Fh1-9%2C21H%2C%28H3%2C17%2C18%29%28H3%2C19%2C20%29,37.0,3.0,21.0,-0.945699989795685,4.0,0.894348502159119,4.03700017929077,2.67000007629395,22.0,30.2803993225098 +InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2832%2934-15-22%2831%2927%2833%2916%282%2912-20-19-9-8-17-13-18%2829%2910-11-24%2817%2C3%2926%2819%2C28%2921%2830%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C30%2C33H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C24%2B%2C25%2B%2C26%3F%2C27%2B%2Fm1%2Fs1,71.0,10.0,6.0,-1.06470000743866,7.0,1.1335860490799,2.83999991416931,3.66000008583069,37.0,121.293502807617 +InChI%3D1S%2FC15H13NO3%2Fc1-9%2815%2817%2918%2910-4-5-13-12%287-10%298-11-3-2-6-16-14%2811%2919-13%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C17%2C18%29,32.0,5.0,13.0,0.357100009918213,2.0,0.12752041220665,2.83599996566772,2.67000007629395,21.0,22.7935009002686 +InChI%3D1S%2FC15H10BrClN4S%2Fc1-8-19-20-13-7-18-14%289-4-2-3-5-11%289%2917%2910-6-12%2816%2922-15%2810%2921%288%2913%2Fh2-6H%2C7H2%2C1H3,32.0,0.0,18.0,1.8264000415802,1.0,3.33573698997498,4.77899980545044,2.33999991416931,25.0,42.253101348877 +InChI%3D1S%2FC12H21N5O2S2%2Fc1-13-11%286-17%2818%2919%2914-4-5-20-8-10-9-21-12%2815-10%297-16%282%293%2Fh6%2C9%2C13-14H%2C4-5%2C7-8H2%2C1-3H3,42.0,12.0,7.0,0.0612999983131886,10.0,0.00375769007951021,2.13800001144409,1.78999996185303,21.0,71.5422973632812 +InChI%3D1S%2FC21H25N3O2S%2Fc25-14-16-26-15-13-23-9-11-24%2812-10-23%2921-17-5-1-3-7-19%2817%2927-20-8-4-2-6-18%2820%2922-21%2Fh1-8%2C25H%2C9-16H2,52.0,6.0,15.0,-0.394400000572205,6.0,0.155551359057426,3.85500001907349,3.10999989509583,30.0,61.2714004516602 +InChI%3D1S%2FC23H28ClN3O2S%2Fc1-18%2828%2929-16-15-26-13-11-25%2812-14-26%299-4-10-27-20-5-2-3-6-22%2820%2930-23-8-7-19%2824%2917-21%2823%2927%2Fh2-3%2C5-8%2C17H%2C4%2C9-16H2%2C1H3,58.0,6.0,13.0,1.09809994697571,8.0,1.20582365989685,4.13100004196167,3.22000002861023,33.0,74.4283981323242 +InChI%3D1S%2FC21H28O5%2Fc1-20-7-6-13%2824%298-12%2820%292-3-14-15-4-5-16%2818%2826%2910-22%2921%2815%2C11-23%299-17%2825%2919%2814%2920%2Fh8%2C11%2C14-17%2C19%2C22%2C25H%2C2-7%2C9-10H2%2C1H3%2Ft14%3F%2C15-%2C16-%2C17-%2C19%2B%2C20-%2C21%3F%2Fm0%2Fs1,54.0,4.0,4.0,-1.35549998283386,3.0,1.83738029003143,0.256999999284744,3.22000002861023,29.0,95.912498474121 +InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,29.0,7.0,5.0,0.0841000005602837,5.0,0.0070728100836277,0.834999978542328,1.46000003814697,14.0,55.7243003845215 +InChI%3D1S%2FC7H17NO5%2Fc1-8-2-4%2810%296%2812%297%2813%295%2811%293-9%2Fh4-13H%2C2-3H2%2C1H3%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2Fm0%2Fs1,30.0,13.0,0.0,-2.79800009727478,6.0,7.82880401611328,-3.57299995422363,1.57000005245209,12.0,44.8357009887695 +InChI%3D1S%2FC26H36O3%2Fc1-26-15-14-21-20-10-8-19%2827%2916-18%2820%297-9-22%2821%2923%2826%2911-12-24%2826%2929-25%2828%2913-6-17-4-2-3-5-17%2Fh8%2C10%2C16-17%2C21-24%2C27H%2C2-7%2C9%2C11-15H2%2C1H3%2Ft21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2Fm1%2Fs1,65.0,5.0,7.0,-0.181199997663498,5.0,0.0328334383666515,8.08300018310547,3.99000000953674,33.0,82.8537979125977 +InChI%3D1S%2FC35H42N2O11%2Fc1-7-46-35%2840%2948-31-26%2842-3%2912-18%2813-27%2831%2943-4%2933%2838%2947-28-14-19-17-37-11-10-22-21-9-8-20%2841-2%2915-24%2821%2936-30%2822%2925%2837%2916-23%2819%2929%2832%2828%2944-5%2934%2839%2945-6%2Fh8-9%2C12-13%2C15%2C19%2C23%2C25%2C28-29%2C32%2C36H%2C7%2C10-11%2C14%2C16-17H2%2C1-6H3%2Ft19%3F%2C23-%2C25%2B%2C28%3F%2C29-%2C32-%2Fm0%2Fs1,89.0,6.0,15.0,0.420399993658066,13.0,0.176736161112785,3.71000003814697,3.88000011444092,53.0,110.275497436523 +InChI%3D1S%2FC15H14ClN3O4S3%2Fc16-11-6-12-14%287-13%2811%2925%2817%2C20%2921%2926%2822%2C23%2919-15%2818-12%299-24-8-10-4-2-1-3-5-10%2Fh1-7H%2C8-9H2%2C%28H%2C18%2C19%29%28H2%2C17%2C20%2C21%29,40.0,3.0,16.0,-0.693599998950958,5.0,0.481080949306488,2.86199998855591,1.89999997615814,28.0,51.1651000976562 +InChI%3D1S%2FC4H11NO3%2Fc5-4%281-6%2C2-7%293-8%2Fh6-8H%2C1-3%2C5H2,19.0,8.0,0.0,-2.38089990615845,3.0,5.66868495941162,-2.66199994087219,1.46000003814697,7.0,28.3554992675781 +InChI%3D1S%2FC9H8N2O2%2Fc10-9-11-8%2812%297%2813-9%296-4-2-1-3-5-6%2Fh1-5%2C7H%2C%28H2%2C10%2C11%2C12%29,21.0,0.0,6.0,-0.299400001764297,1.0,0.0896403566002846,2.61199998855591,2.00999999046326,14.0,19.1490993499756 +InChI%3D1S%2FC15H15NO2S%2Fc16-14%2817%2911-19%2818%2915%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-10%2C15H%2C11H2%2C%28H2%2C16%2C17%29,34.0,7.0,6.0,-0.855000019073486,5.0,0.731024980545044,4.42999982833862,2.67000007629395,20.0,25.6014995574951 +InChI%3D1S%2FC29H38F3N3O2S%2Fc1-2-3-4-5-11-28%2836%2937-21-20-34-18-16-33%2817-19-34%2914-8-15-35-24-9-6-7-10-26%2824%2938-27-13-12-23%2822-25%2827%2935%2929%2830%2C31%2932%2Fh6-7%2C9-10%2C12-13%2C22H%2C2-5%2C8%2C11%2C14-21H2%2C1H3,76.0,11.0,13.0,0.37610000371933,14.0,0.141451209783554,7.67799997329712,3.66000008583069,41.0,91.9172973632812 +InChI%3D1S%2FC6H18N4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh9-10H%2C1-8H2,28.0,10.0,0.0,-2.27099990844727,7.0,5.15744113922119,-2.11400008201599,1.67999994754791,9.0,43.3174018859863 +InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,25.0,6.0,10.0,-0.77649998664856,4.0,0.602952241897583,2.17199993133545,2.23000001907349,13.0,22.3787994384766 +InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,23.0,4.0,6.0,-0.686600029468536,2.0,0.4714195728302,3.58200001716614,2.33999991416931,10.0,18.3840999603271 +InChI%3D1S%2FC17H20N2O5S%2Fc1-2-3-9-19-14-10-12%2817%2820%2921%2911-15%2825%2818%2C22%2923%2916%2814%2924-13-7-5-4-6-8-13%2Fh4-8%2C10-11%2C19H%2C2-3%2C9H2%2C1H3%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29,45.0,5.0,21.0,-2.2639000415802,8.0,5.12524318695068,2.92600011825562,2.45000004768372,26.0,39.7140998840332 +InChI%3D1S%2FC4H9NO%2Fc1-4%286%295%282%293%2Fh1-3H3,15.0,6.0,3.0,-0.420300006866455,1.0,0.17665208876133,-0.148000001907349,1.67999994754791,5.0,24.2593002319336 +InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29,31.0,0.0,6.0,-0.575900018215179,2.0,0.331660807132721,4.85400009155273,2.67000007629395,21.0,19.0569000244141 +InChI%3D1S%2FC7H8N4O2%2Fc1-10-5-4%288-3-9-5%296%2812%2911%282%297%2810%2913%2Fh3H%2C1-2H3%2C%28H%2C8%2C9%29,20.0,0.0,6.0,-0.546599984169006,0.0,0.298771560192108,-0.751999974250793,1.57000005245209,14.0,26.2775001525879 +InChI%3D1S%2FC10H9N3O%2Fc11-9-5-8%286-13-10%289%2914%297-1-3-12-4-2-7%2Fh1-6H%2C11H2%2C%28H%2C13%2C14%29,23.0,0.0,14.0,-1.21019995212555,1.0,1.46458399295807,0.903999984264374,2.11999988555908,15.0,6.7866997718811 +InChI%3D1S%2FC6H14O6S2%2Fc1-13%287%2C8%2911-5-3-4-6-12-14%282%2C9%2910%2Fh3-6H2%2C1-2H3,28.0,14.0,4.0,-1.13380002975464,7.0,1.28550243377686,-1.23199999332428,1.24000000953674,13.0,46.6245994567871 +InChI%3D1S%2FC23H29N3O2S%2Fc1-18%2828%2919-7-8-23-21%2817-19%2926%2820-5-2-3-6-22%2820%2929-23%2910-4-9-24-11-13-25%2814-12-24%2915-16-27%2Fh2-3%2C5-8%2C17%2C27H%2C4%2C9-16H2%2C1H3,58.0,3.0,15.0,-0.279199987649918,7.0,0.0779526382684708,2.79699993133545,3.32999992370605,32.0,70.4317016601562 +InChI%3D1S%2FC21H19N3O3S%2Fc1-27-20-13-14%2824-28%282%2C25%2926%2911-12-19%2820%2923-21-15-7-3-5-9-17%2815%2922-18-10-6-4-8-16%2818%2921%2Fh3-13%2C24H%2C1-2H3%2C%28H%2C22%2C23%29,47.0,5.0,26.0,-1.41199994087219,4.0,1.99374401569366,4.94799995422363,3.0,31.0,34.057201385498 +InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,20.0,5.0,11.0,-0.494899988174438,3.0,0.244926005601883,3.25300002098083,1.78999996185303,11.0,14.2775001525879 +InChI%3D1S%2FC20H4Cl4I4O5.2Na%2Fc21-10-8%289%2820%2831%2932%2911%2822%2913%2824%2912%2810%2923%297-3-1-5%2825%2916%2829%2914%2827%2918%283%2933-19-4%287%292-6%2826%2917%2830%2915%2819%2928%3B%3B%2Fh1-2%2C29H%2C%28H%2C31%2C32%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,43.0,2.0,9.0,,2.0,,5.46500015258789,2.00999999046326,36.0, +InChI%3D1S%2FC26H34O8.Na%2Fc1-14-10-16-17-7-9-26%2833%2C20%2829%2913-34-22%2832%295-4-21%2830%2931%2925%2817%2C3%2912-19%2828%2923%2816%2924%282%298-6-15%2827%2911-18%2814%2924%3B%2Fh6%2C8%2C11%2C14%2C16-17%2C19%2C23%2C28%2C33H%2C4-5%2C7%2C9-10%2C12-13H2%2C1-3H3%2C%28H%2C30%2C31%29%3B%2Fq%3B%2B1%2Fp-1%2Ft14-%2C16%3F%2C17-%2C19-%2C23%2B%2C24-%2C25-%2C26-%3B%2Fm0.%2Fs1,68.0,11.0,6.0,,7.0,,0.725000023841858,3.32999992370605,37.0, +InChI%3D1S%2FC8H12N2%2Fc1-9-7-5-8-4-2-3-6-10-8%2Fh2-4%2C6%2C9H%2C5%2C7H2%2C1H3,22.0,4.0,6.0,-0.594500005245209,3.0,0.353430241346359,1.44599997997284,2.11999988555908,10.0,16.6205005645752 +InChI%3D1S%2FC9H13NO2%2Fc1-10-6-9%2812%297-3-2-4-8%2811%295-7%2Fh2-5%2C9-12H%2C6H2%2C1H3%2Ft9-%2Fm0%2Fs1,25.0,5.0,7.0,-1.2775000333786,3.0,1.63200628757477,0.46399998664856,2.11999988555908,12.0,22.2360000610352 +InChI%3D1S%2FC28H29F2N3O%2Fc29-22-11-7-20%288-12-22%2925%2821-9-13-23%2830%2914-10-21%294-3-17-32-18-15-24%2816-19-32%2933-27-6-2-1-5-26%2827%2931-28%2833%2934%2Fh1-2%2C5-14%2C24-25H%2C3-4%2C15-19H2%2C%28H%2C31%2C34%29,63.0,4.0,8.0,-0.229399994015694,7.0,0.0526243597269058,7.90899991989136,3.88000011444092,38.0,44.6063995361328 +InChI%3D1S%2FC19H21NO4%2Fc1-2-8-20-9-7-18-15-11-3-4-12%2821%2916%2815%2924-17%2818%2913%2822%295-6-19%2818%2C23%2914%2820%2910-11%2Fh2-4%2C14%2C17%2C21%2C23H%2C1%2C5-10H2%2Ft14-%2C17%2B%2C18%2B%2C19%3F%2Fm1%2Fs1,45.0,3.0,8.0,-0.848399996757507,2.0,0.719782531261444,0.611999988555908,3.0,28.0,64.5262985229492 +InChI%3D1S%2FC17H35N5O6%2Fc1-7%2819%299-5-4-8%2820%2917%2827-9%2928-15-11%2821%2913%2824%2916%2826-3%2912%2814%2815%2925%2922%282%2910%2823%296-18%2Fh7-9%2C11-17%2C24-25H%2C4-6%2C18-21H2%2C1-3H3%2Ft7-%2C8%3F%2C9-%2C11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%2B%2C17%2B%2Fm0%2Fs1,63.0,6.0,3.0,-5.86059999465942,7.0,34.3466339111328,-3.91300010681152,2.11999988555908,29.0,95.752296447754 +InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-11%2C20H%2C6%2C12-14H2%2C1H3,41.0,5.0,14.0,-0.197500005364418,3.0,0.0390062518417835,8.03600025177002,3.44000005722046,22.0,35.4497985839844 +InChI%3D1S%2FC32H24N6O6S2.2Na%2Fc33-31-25-7-3-1-5-23%2825%2929%2845%2839%2C40%2941%2917-27%2831%2937-35-21-13-9-19%2810-14-21%2920-11-15-22%2816-12-20%2936-38-28-18-30%2846%2842%2C43%2944%2924-6-2-4-8-26%2824%2932%2828%2934%3B%3B%2Fh1-18H%2C33-34H2%2C%28H%2C39%2C40%2C41%29%28H%2C42%2C43%2C44%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb37-35-%2C38-36-%3B%3B,70.0,3.0,46.0,,7.0,,8.23200035095215,3.22000002861023,51.0, +InChI%3D1S%2FC27H34N2O7%2Fc1-5-36-27%2833%2921%2812-11-18-9-7-6-8-10-18%2928-17%282%2925%2830%2929-16-20-15-24%2835-4%2923%2834-3%2914-19%2820%2913-22%2829%2926%2831%2932%2Fh6-10%2C14-15%2C17%2C21-22%2C28H%2C5%2C11-13%2C16H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1,70.0,13.0,8.0,-1.70860004425049,13.0,2.91931390762329,4.85900020599365,3.44000005722046,38.0,82.0962982177734 +InChI%3D1S%2FC16H13ClN2O2%2Fc1-19-13-8-7-11%2817%299-12%2813%2914%2818-15%2820%2916%2819%2921%2910-5-3-2-4-6-10%2Fh2-9%2C15%2C20H%2C1H3,34.0,0.0,17.0,-0.216499999165535,1.0,0.0468722507357597,3.92000007629395,2.67000007629395,23.0,31.1173000335693 +InChI%3D1S%2FC15H17N7O5S3%2Fc1-21-14%2818-19-20-21%2930-6-8-5-29-13-15%2827-2%2C17-9%2823%297-28-4-3-16%2912%2826%2922%2813%2910%288%2911%2824%2925%2Fh13H%2C4-7H2%2C1-2H3%2C%28H%2C17%2C23%29%28H%2C24%2C25%29%2Ft13-%2C15%2B%2Fm1%2Fs1,47.0,8.0,8.0,0.51120001077652,9.0,0.26132544875145,-1.25800001621246,1.46000003814697,32.0,101.079498291016 +InChI%3D1S%2FC9H13NO%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7%2C9%2C11H%2C10H2%2C1H3%2Ft7-%2C9-%2Fm1%2Fs1,24.0,5.0,6.0,-1.25969994068146,2.0,1.58684408664703,2.13000011444092,2.23000001907349,11.0,19.4811992645264 +InChI%3D1S%2FC23H33N2O2%2Fc1-4-10-25-17-11-14%2813%285-2%2922%2825%2927%2919-18%2825%2912-23%2821%2819%2926%2915-8-6-7-9-16%2815%2924%283%2920%2817%2923%2Fh6-9%2C13-14%2C17-22%2C26-27H%2C4-5%2C10-12H2%2C1-3H3%2Fq%2B1%2Ft13-%2C14-%2C17%2B%2C18%2B%2C19%3F%2C20-%2C21-%2C22%3F%2C23-%2C25%3F%2Fm0%2Fs1,60.0,3.0,7.0,-3.75029993057251,3.0,14.0647497177124,3.20000004768372,3.54999995231628,32.0,73.1718978881836 +InChI%3D1S%2FC14H15N7.2C4H7NO3%2Fc15-13%2816%299-1-5-11%286-2-9%2919-21-20-12-7-3-10%284-8-12%2914%2817%2918%3B2%2A1-3%286%295-2-4%287%298%2Fh1-8H%2C%28H3%2C15%2C16%29%28H3%2C17%2C18%29%28H%2C19%2C20%29%3B2%2A2H2%2C1H3%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,66.0,8.0,21.0,-2.07030010223389,9.0,4.28614187240601,,2.23000001907349,36.0,75.9756011962891 +InChI%3D1S%2FC8H11N3O3S%2Fc9-5-1-2-11%288%2813%2910-5%296-4-15-7%283-12%2914-6%2Fh1-2%2C6-7%2C12H%2C3-4H2%2C%28H2%2C9%2C10%2C13%29%2Ft6-%2C7%2B%2Fm1%2Fs1,30.0,1.0,3.0,0.104900002479553,2.0,0.0110040102154016,-0.832000017166138,1.57000005245209,16.0,54.5671005249023 +InChI%3D1S%2FC17H26ClN%2Fc1-13%282%2912-16%2819%283%294%2917%2810-5-11-17%2914-6-8-15%2818%299-7-14%2Fh6-9%2C13%2C16H%2C5%2C10-12H2%2C1-4H3,45.0,8.0,6.0,1.207200050354,5.0,1.45733189582825,5.60799980163574,3.10999989509583,20.0,57.2873992919922 +InChI%3D1S%2FC20H24N2O2S%2Fc1-3-22%284-2%2912-11-21-16-10-9-14%2813-23%2920-18%2816%2919%2824%2915-7-5-6-8-17%2815%2925-20%2Fh5-10%2C21%2C23H%2C3-4%2C11-13H2%2C1-2H3,49.0,8.0,15.0,0.199499994516373,7.0,0.0398002490401268,3.08400011062622,3.10999989509583,27.0,56.0196990966797 +InChI%3D1S%2FC6H13NO5%2Fc7-3-5%2810%294%289%292%281-8%2912-6%283%2911%2Fh2-6%2C8-11H%2C1%2C7H2%2Ft2-%2C3-%2C4-%2C5-%2C6-%2Fm1%2Fs1,25.0,2.0,0.0,-2.80299997329712,1.0,7.85680913925171,-1.76400005817413,1.46000003814697,12.0,37.5808982849121 +InChI%3D1S%2FC9H14N2O3%2Fc1-4-9%285-2%296%2812%2910-8%2814%2911%283%297%289%2913%2Fh4-5H2%2C1-3H3%2C%28H%2C10%2C12%2C14%29,28.0,2.0,8.0,-0.621399998664856,2.0,0.386137962341309,0.910000026226044,1.89999997615814,14.0,49.6786994934082 +InChI%3D1S%2FC11H12ClNO3S%2Fc1-13-10%2814%296-7-17%2815%2C16%2911%2813%298-2-4-9%2812%295-3-8%2Fh2-5%2C11H%2C6-7H2%2C1H3,29.0,0.0,6.0,-0.0348000004887581,1.0,0.00121103995479643,1.27199995517731,2.00999999046326,18.0,39.834300994873 +InChI%3D1S%2FC24H25NO4%2Fc1-17-21%2826%2919-11-8-12-20%2823%2819%2929-22%2817%2918-9-4-2-5-10-18%2924%2827%2928-16-15-25-13-6-3-7-14-25%2Fh2%2C4-5%2C8-12H%2C3%2C6-7%2C13-16H2%2C1H3,56.0,5.0,12.0,-1.06900000572205,6.0,1.14276099205017,5.19799995422363,3.54999995231628,32.0,56.4903984069824 +InChI%3D1S%2FC43H74N2O14%2Fc1-24-21-29%2819-20-46%2939%2859-42-37%2849%2936%2845%289%2910%2938%2827%284%2956-42%2958-35-23-43%286%2C51%2941%2850%2928%285%2955-35%2940%2852-11%2931%2847%2922-33%2848%2953-25%282%2915-13-12-14-16-32%2824%2957-34-18-17-30%2844%287%298%2926%283%2954-34%2Fh12-14%2C16%2C20%2C24-32%2C34-42%2C47%2C49-51H%2C15%2C17-19%2C21-23H2%2C1-11H3%2Fb13-12%2B%2C16-14-%2Ft24%3F%2C25-%2C26-%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31-%2C32%2B%2C34-%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%2B%2C42%2B%2C43-%2Fm1%2Fs1,133.0,3.0,4.0,-2.2778000831604,11.0,5.18837261199951,1.92900002002716,4.42999982833862,62.0,212.918395996094 +InChI%3D1S%2FC11H12N4O2S%2Fc1-8-6-7-13-11%2814-8%2915-18%2816%2C17%2910-4-2-9%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29,30.0,4.0,17.0,-1.24689996242523,3.0,1.55475962162018,1.23699998855591,1.89999997615814,19.0,21.0962009429932 +InChI%3D1S%2FC21H27ClN2O2%2Fc22-20-8-6-19%287-9-20%2921%2818-4-2-1-3-5-18%2924-12-10-23%2811-13-24%2914-16-26-17-15-25%2Fh1-9%2C21%2C25H%2C10-17H2,53.0,6.0,6.0,0.198699995875359,8.0,0.0394816882908344,4.1230001449585,3.22000002861023,28.0,56.6907997131348 +InChI%3D1S%2FC10H21N%2Fc1-9%2811-2%298-10-6-4-3-5-7-10%2Fh9-11H%2C3-8H2%2C1-2H3,32.0,5.0,0.0,-0.720499992370605,3.0,0.519120275974274,3.5090000629425,2.45000004768372,11.0,43.1862983703613 +InChI%3D1S%2FC22H20N4O8S2%2Fc23-18%2827%2913-6-8-25%289-7-13%2910-14-11-35-21-15%2820%2829%2926%2821%2916%2814%2922%2830%2931%2924-19%2828%2917%2836%2832%2C33%2934%2912-4-2-1-3-5-12%2Fh1-9%2C15%2C17%2C21H%2C10-11H2%2C%28H4-%2C23%2C24%2C27%2C28%2C30%2C31%2C32%2C33%2C34%29%2Ft15-%2C17%3F%2C21-%2Fm1%2Fs1,57.0,8.0,8.0,-3.44379997253418,8.0,11.8597583770752,0.865000009536743,2.33999991416931,39.0,75.7223968505859 +InChI%3D1S%2FC8H9NO%2Fc1-7%2810%299-8-5-3-2-4-6-8%2Fh2-6H%2C1H3%2C%28H%2C9%2C10%29,19.0,4.0,9.0,-0.0716999992728233,1.0,0.00514088990166783,2.83999991416931,2.11999988555908,10.0,13.9007997512817 +InChI%3D1S%2FC21H27NO%2Fc1-5-20%2823%2921%2816-17%282%2922%283%294%2C18-12-8-6-9-13-18%2919-14-10-7-11-15-19%2Fh6-15%2C17H%2C5%2C16H2%2C1-4H3,50.0,11.0,6.0,-0.266400009393692,7.0,0.0709689632058144,7.24700021743774,3.54999995231628,24.0,46.8678016662598 +InChI%3D1S%2FC20H22N8O5%2Fc1-28%289-11-8-23-17-15%2824-11%2916%2821%2926-20%2822%2927-17%2912-4-2-10%283-5-12%2918%2831%2925-13%2819%2832%2933%296-7-14%2829%2930%2Fh2-5%2C8%2C13H%2C6-7%2C9H2%2C1H3%2C%28H%2C25%2C31%29%28H%2C29%2C30%29%28H%2C32%2C33%29%28H4%2C21%2C22%2C23%2C26%2C27%29%2Ft13-%2Fm0%2Fs1,57.0,12.0,10.0,-2.48480010032654,10.0,6.17423105239868,-1.91499996185303,2.23000001907349,35.0,64.5699005126953 +InChI%3D1S%2FC22H31NO3%2Fc1-3-23%284-2%2917-11-12-18-26-21%2824%2922%2825%2C19-13-7-5-8-14-19%2920-15-9-6-10-16-20%2Fh5%2C7-8%2C13-14%2C20%2C25H%2C3-4%2C6%2C9-10%2C15-18H2%2C1-2H3,57.0,14.0,6.0,-0.163000002503395,8.0,0.0265689995139837,5.37400007247925,3.44000005722046,27.0,72.4673004150391 +InChI%3D1S%2FC30H32N2O2%2Fc1-2-34-28%2833%2929%2825-12-6-3-7-13-25%2918-21-32%2822-19-29%2923-20-30%2824-31%2C26-14-8-4-9-15-26%2927-16-10-5-11-17-27%2Fh3-17H%2C2%2C18-23H2%2C1H3,66.0,5.0,6.0,0.371499985456467,9.0,0.138012245297432,10.1479997634888,4.32000017166138,37.0,58.1118011474609 +InChI%3D1S%2FC18H18N6O5S2%2Fc19-12%288-1-3-10%2825%294-2-8%2915%2826%2921-13-16%2827%2924-14%2818%2828%2929%299%287-31-17%2813%2924%296-30-11-5-20-23-22-11%2Fh1-5%2C12-13%2C17%2C25H%2C6-7%2C19H2%2C%28H%2C21%2C26%29%28H%2C28%2C29%29%28H%2C20%2C22%2C23%29%2Ft12-%2C13-%2C17-%2Fm1%2Fs1,48.0,5.0,8.0,-1.3186000585556,7.0,1.73870599269867,-2.65000009536743,2.00999999046326,34.0,73.1846008300781 +InChI%3D1S%2FC9H13N2O2.BrH%2Fc1-10%282%299%2812%2913-8-5-4-6-11%283%297-8%3B%2Fh4-7H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,28.0,6.0,4.0,,3.0,,1.77699995040894,1.89999997615814,13.0, +InChI%3D1S%2FC13H15NO2%2Fc1-2-13%2810-6-4-3-5-7-10%299-8-11%2815%2914-12%2813%2916%2Fh3-7H%2C2%2C8-9H2%2C1H3%2C%28H%2C14%2C15%2C16%29,31.0,2.0,6.0,-0.816999971866608,2.0,0.667488992214203,4.01599979400635,2.55999994277954,17.0,35.6035003662109 +InChI%3D1S%2FC11H12N2S%2Fc1-2-4-9%285-3-1%2910-8-13-6-7-14-11%2813%2912-10%2Fh1-5%2C10H%2C6-8H2%2Ft10-%2Fm1%2Fs1,26.0,0.0,6.0,0.504700005054474,1.0,0.254722088575363,3.90499997138977,2.33999991416931,16.0,33.9342994689941 +InChI%3D1S%2FC19H20FNO3%2Fc20-15-3-1-13%282-4-15%2917-7-8-21-10-14%2817%2911-22-16-5-6-18-19%289-16%2924-12-23-18%2Fh1-6%2C9%2C14%2C17%2C21H%2C7-8%2C10-12H2%2Ft14-%2C17-%2Fm0%2Fs1,44.0,2.0,9.0,-0.991100013256073,4.0,0.982279181480408,4.06199979782104,3.0,27.0,36.6875991821289 +InChI%3D1S%2FC8H16O2%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29,26.0,10.0,3.0,-0.346700012683868,5.0,0.120200887322426,2.74200010299683,2.11999988555908,9.0,37.3651008605957 +InChI%3D1S%2FC11H14N2S%2Fc1-13-8-3-7-12-11%2813%296-5-10-4-2-9-14-10%2Fh2%2C4-6%2C9H%2C3%2C7-8H2%2C1H3,28.0,2.0,10.0,0.0883999988436699,2.0,0.00781456008553505,3.05200004577637,2.33999991416931,15.0,44.5815010070801 +InChI%3D1S%2FC13H8Cl2O4S%2Fc14-11-7%2813%2818%299-2-1-5-20-9%293-4-8%2812%2811%2915%2919-6-10%2816%2917%2Fh1-5H%2C6H2%2C%28H%2C16%2C17%29,28.0,5.0,14.0,1.21969997882843,5.0,1.48766803741455,2.86400008201599,2.11999988555908,21.0,37.7710990905762 +InChI%3D1S%2FC22H27ClN2O%2Fc1-17%282%2924-14-12-21%2813-15-24%2925%2820-10-8-19%2823%299-11-20%2922%2826%2916-18-6-4-3-5-7-18%2Fh3-11%2C17%2C21H%2C12-16H2%2C1-2H3,53.0,4.0,9.0,-0.393500000238419,6.0,0.154842242598534,6.7189998626709,3.44000005722046,28.0,54.345100402832 +InChI%3D1S%2FC21H27N%2Fc1-16%2815-22%282%293%2914-21-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2921%2Fh4-11%2C16%2C21H%2C12-15H2%2C1-3H3,49.0,7.0,6.0,0.419099986553192,4.0,0.175644814968109,8.9069995880127,3.66000008583069,24.0,45.9147987365723 +InChI%3D1S%2FC16H12O3%2Fc1-19-11-8-6-10%287-9-11%2914-15%2817%2912-4-2-3-5-13%2812%2916%2814%2918%2Fh2-9%2C14H%2C1H3,31.0,2.0,10.0,-0.72409999370575,2.0,0.524320781230927,3.125,2.89000010490417,21.0,21.6294002532959 +InChI%3D1S%2FC9H17NO5%2Fc1-9%282%2C5-11%297%2814%298%2815%2910-4-3-6%2812%2913%2Fh7%2C11%2C14H%2C3-5H2%2C1-2H3%2C%28H%2C10%2C15%29%28H%2C12%2C13%29%2Ft7-%2Fm0%2Fs1,32.0,15.0,3.0,-0.651099979877472,6.0,0.423931211233139,-0.925000011920929,1.78999996185303,14.0,51.5592002868652 +InChI%3D1S%2FC23H16O11%2Fc24-11%289-31-14-3-1-5-16-20%2814%2912%2825%297-18%2833-16%2922%2827%2928%2910-32-15-4-2-6-17-21%2815%2913%2826%298-19%2834-17%2923%2829%2930%2Fh1-8%2C11%2C24H%2C9-10H2%2C%28H%2C27%2C28%29%28H%2C29%2C30%29,54.0,6.0,10.0,-2.35570001602173,8.0,5.54932260513306,0.148000001907349,2.77999997138977,37.0,62.7378997802734 +InChI%3D1S%2FC12H13ClN4%2Fc1-2-9-10%2811%2814%2917-12%2815%2916-9%297-3-5-8%2813%296-4-7%2Fh3-6H%2C2H2%2C1H3%2C%28H4%2C14%2C15%2C16%2C17%29,34.0,2.0,6.0,-0.936100006103516,2.0,0.87628322839737,2.88899993896484,2.23000001907349,18.0,39.2258987426758 +InChI%3D1S%2FC26H28N2%2Fc1-4-11-23%2812-5-1%2913-10-18-27-19-21-28%2822-20-27%2926%2824-14-6-2-7-15-24%2925-16-8-3-9-17-25%2Fh1-17%2C26H%2C18-22H2,56.0,3.0,8.0,0.501800000667572,6.0,0.251803249120712,9.86600017547607,4.09999990463257,31.0,43.0735015869141 +InChI%3D1S%2FC16H12ClNO3%2Fc1-9%2816%2819%2920%2911-4-7-14-13%288-11%2918-15%2821-14%2910-2-5-12%2817%296-3-10%2Fh2-9H%2C1H3%2C%28H%2C19%2C20%29,33.0,5.0,15.0,0.64520001411438,3.0,0.416283041238785,3.89100003242493,2.67000007629395,23.0,23.8080997467041 +InChI%3D1S%2FC27H38O6%2Fc1-24%282%2C3%2914-22%2831%2933-15-21%2830%2927%2832%2911-9-19-18-7-6-16-12-17%2828%298-10-25%2816%2C4%2923%2818%2920%2829%2913-26%2819%2C27%295%2Fh8%2C10%2C12%2C18-20%2C23%2C29%2C32H%2C6-7%2C9%2C11%2C13-15H2%2C1-5H3%2Ft18%3F%2C19-%2C20-%2C23%2B%2C25-%2C26-%2C27-%2Fm0%2Fs1,71.0,11.0,6.0,1.10249996185303,6.0,1.21550619602203,3.26799988746643,3.76999998092651,36.0,124.598701477051 +InChI%3D1S%2FC11H12N2O.2C2H3Cl3O2%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%3B2%2A3-2%284%2C5%291%286%297%2Fh3-8H%2C1-2H3%3B2%2A1%2C6-7H,48.0,7.0,10.0,1.31599998474121,3.0,1.7318559885025,,1.67999994754791,27.0,88.3733978271484 +InChI%3D1S%2FC18H24O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh3%2C5%2C10%2C14-17%2C19-20H%2C2%2C4%2C6-9H2%2C1H3%2Ft14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1,44.0,0.0,7.0,-0.469900012016296,0.0,0.220806002616882,4.64599990844727,3.22000002861023,23.0,52.5960998535156 +InChI%3D1S%2FC21H26N2OS2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2826%282%2924%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3,52.0,2.0,15.0,-0.878799974918365,4.0,0.772289454936981,3.59999990463257,3.22000002861023,29.0,58.6167984008789 +InChI%3D1S%2FC5H11NO2%2Fc1-5%282%293-4-8-6-7%2Fh5H%2C3-4H2%2C1-2H3,19.0,8.0,3.0,-1.7529000043869,4.0,3.07265830039978,2.71000003814697,1.67999994754791,7.0,28.7031002044678 +InChI%3D1S%2FC37H67NO13%2Fc1-14-25-37%2810%2C45%2930%2841%2920%284%2927%2839%2918%282%2916-35%288%2C44%2932%2851-34-28%2840%2924%2838%2811%2912%2915-19%283%2947-34%2921%285%2929%2822%286%2933%2843%2949-25%2950-26-17-36%289%2C46-13%2931%2842%2923%287%2948-26%2Fh18-26%2C28-32%2C34%2C40-42%2C44-45H%2C14-17H2%2C1-13H3%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C28-%2C29%2B%2C30-%2C31%2B%2C32-%2C34%2B%2C35-%2C36-%2C37-%2Fm1%2Fs1,118.0,2.0,3.0,-2.4621000289917,7.0,6.061936378479,1.14100003242493,3.99000000953674,53.0,181.480804443359 +InChI%3D1S%2FC9H10N2O3%2Fc10-7-3-1-6%282-4-7%299%2814%2911-5-8%2812%2913%2Fh1-4H%2C5%2C10H2%2C%28H%2C11%2C14%29%28H%2C12%2C13%29,24.0,7.0,10.0,-1.82630002498627,4.0,3.33537173271179,-1.99100005626678,1.89999997615814,14.0,23.4449005126953 +InChI%3D1S%2FC12H21N%2Fc1-8%2813%2912-5-9-2-10%286-12%294-11%283-9%297-12%2Fh8-11H%2C2-7%2C13H2%2C1H3,34.0,3.0,0.0,-0.886300027370453,1.0,0.78552770614624,3.57800006866455,2.67000007629395,15.0,53.407600402832 +InChI%3D1S%2FC6H8O7%2Fc7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29,21.0,13.0,3.0,-1.39499998092651,5.0,1.94602501392365,-2.24699997901917,1.35000002384186,12.0,35.6239013671875 +InChI%3D1S%2FC15H14ClN3O4S%2Fc16-8-6-24-14-10%2813%2821%2919%2814%2911%288%2915%2822%2923%2918-12%2820%299%2817%297-4-2-1-3-5-7%2Fh1-5%2C9-10%2C14H%2C6%2C17H2%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10-%2C14-%2Fm1%2Fs1,38.0,5.0,8.0,-0.896200001239777,4.0,0.803174436092377,-0.609000027179718,2.11999988555908,26.0,64.0505981445312 +InChI%3D1S%2FC10H13NO2%2Fc1-2-3-4-8-5-6-9%2810%2812%2913%2911-7-8%2Fh5-7H%2C2-4H2%2C1H3%2C%28H%2C12%2C13%29,26.0,4.0,9.0,-0.702099978923798,4.0,0.492944419384003,2.84400010108948,2.23000001907349,13.0,23.8066005706787 +InChI%3D1S%2FC5H9N3%2Fc6-3-1-5-2-4-7-8-5%2Fh2%2C4H%2C1%2C3%2C6H2%2C%28H%2C7%2C8%29,16.0,3.0,2.0,-1.02629995346069,2.0,1.05329167842865,0.123999997973442,1.67999994754791,8.0,11.8458995819092 +InChI%3D1S%2FC17H14F3N3O2S%2Fc1-11-2-4-12%285-3-11%2915-10-16%2817%2818%2C19%2920%2922-23%2815%2913-6-8-14%289-7-13%2926%2821%2C24%2925%2Fh2-10H%2C1H3%2C%28H2%2C21%2C24%2C25%29,40.0,3.0,21.0,0.816799998283386,4.0,0.667162239551544,5.41699981689453,2.33999991416931,28.0,25.9762992858887 +InChI%3D1S%2FC13H16N2O2%2Fc1-2-3-9-11-12%2816%2914-15%2813%2811%2917%2910-7-5-4-6-8-10%2Fh4-8%2C11H%2C2-3%2C9H2%2C1H3%2C%28H%2C14%2C16%29,33.0,4.0,12.0,-1.13020002841949,4.0,1.27735209465027,4.11800003051758,2.45000004768372,18.0,35.7131996154785 +InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3%2Ft14-%2C15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21%3F%2C23-%2Fm0%2Fs1,65.0,7.0,4.0,-0.099200002849102,7.0,0.00984064023941755,4.57399988174438,3.54999995231628,31.0,105.645500183105 +InChI%3D1S%2FC17H19N3%2Fc1-19-9-10-20-16%2812-19%2915-7-3-2-5-13%2815%2911-14-6-4-8-18-17%2814%2920%2Fh2-8%2C16H%2C9-12H2%2C1H3,39.0,0.0,7.0,0.5692999958992,0.0,0.324102491140366,3.61299991607666,3.0,23.0,33.6282005310059 +InChI%3D1S%2FC19H23NO%2Fc1-20-14-12-18%2813-15-20%2921-19%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-19H%2C12-15H2%2C1H3,44.0,2.0,6.0,-0.692200005054474,4.0,0.479140847921371,6.26900005340576,3.32999992370605,23.0,32.2571983337402 +InChI%3D1S%2FC53H72N2O12.2C6H6O3S%2Fc1-54%2822-18-38-32-48%2862-7%2950%2864-9%2934-40%2838%2942%2854%2928-36-14-16-44%2858-3%2946%2830-36%2960-5%2924-20-52%2856%2966-26-12-11-13-27-67-53%2857%2921-25-55%282%2923-19-39-33-49%2863-8%2951%2865-10%2935-41%2839%2943%2855%2929-37-15-17-45%2859-4%2947%2831-37%2961-6%3B2%2A7-10%288%2C9%296-4-2-1-3-5-6%2Fh14-17%2C30-35%2C42-43H%2C11-13%2C18-29H2%2C1-10H3%3B2%2A1-5H%2C%28H%2C7%2C8%2C9%29%2Fq%2B2%3B%3B%2Fp-2,169.0,15.0,10.0,-5.90799999237061,28.0,34.9044647216797,8.79399967193604,6.19000005722046,92.0,171.322998046875 +InChI%3D1S%2FC24H36O3%2Fc1-6-7-8-9-12-23%282%2C3%2916-13-20%2826%2922-18-15-17%2825%2910-11-19%2818%2924%284%2C5%2927-21%2822%2914-16%2Fh13-14%2C18-19%2C26H%2C6-12%2C15H2%2C1-5H3%2Ft18-%2C19-%2Fm1%2Fs1,63.0,9.0,8.0,-0.423400014638901,6.0,0.179267555475235,6.84299993515015,3.76999998092651,29.0,79.2587966918945 +InChI%3D1S%2FC19H26NO4.BrH%2Fc1-3-20%282%2915-9-13%2810-16%2820%2918-17%2815%2924-18%2923-19%2822%2914%2811-21%2912-7-5-4-6-8-12%3B%2Fh4-8%2C13-18%2C21H%2C3%2C9-11H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft13-%2C14-%2C15-%2C16%2B%2C17%3F%2C18%2B%2C20%3F%3B%2Fm1.%2Fs1,51.0,6.0,6.0,,6.0,,3.57800006866455,2.89000010490417,27.0, +InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29,32.0,5.0,8.0,0.936999976634979,5.0,0.877969026565552,3.3840000629425,2.11999988555908,19.0,36.8404006958008 +InChI%3D1S%2FC22H43N5O13%2Fc23-2-1-8%2829%2920%2836%2927-7-3-6%2825%2918%2839-22-16%2834%2915%2833%2913%2831%299%284-24%2937-22%2917%2835%2919%287%2940-21-14%2832%2911%2826%2912%2830%2910%285-28%2938-21%2Fh6-19%2C21-22%2C28-35H%2C1-5%2C23-26H2%2C%28H%2C27%2C36%29%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14%2B%2C15-%2C16%2B%2C17-%2C18%2B%2C19-%2C21%3F%2C22%3F%2Fm0%2Fs1,83.0,8.0,3.0,-8.5811996459961,10.0,73.6369934082031,-6.07800006866455,1.89999997615814,42.0,126.074897766113 +InChI%3D1S%2FC15H18I3NO3.Na%2Fc1-3-5-12%2820%2919-14-11%2817%297-10%2816%299%2813%2814%2918%296-8%284-2%2915%2821%2922%3B%2Fh7-8H%2C3-6H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29%3B%2Fq%3B%2B1%2Fp-1,40.0,7.0,9.0,,7.0,,5.80200004577637,2.23000001907349,22.0, +InChI%3D1S%2FC14H20N2O2%2Fc1-14%282%2C3%2916-9-12%2817%2910-18-13-7-5-4-6-11%2813%298-15%2Fh4-7%2C12%2C16-17H%2C9-10H2%2C1-3H3,38.0,10.0,9.0,0.00630000000819564,6.0,3.96899995394051e-05,2.15300011634827,2.55999994277954,18.0,46.0051002502441 +InChI%3D1S%2FC24H20N6O3%2Fc1-2-33-24-25-20-9-5-8-19%2823%2831%2932%2921%2820%2930%2824%2914-15-10-12-16%2813-11-15%2917-6-3-4-7-18%2817%2922-26-28-29-27-22%2Fh3-13H%2C2%2C14H2%2C1H3%2C%28H%2C31%2C32%29%28H%2C26%2C27%2C28%2C29%29,52.0,3.0,13.0,-0.0164000000804663,7.0,0.000268959993263707,6.73699998855591,3.10999989509583,37.0,26.4391002655029 +InChI%3D1S%2FC12H17N4OS.ClH%2Fc1-8-11%283-4-17%2918-7-16%288%296-10-5-14-9%282%2915-12%2810%2913%3B%2Fh5%2C7%2C17H%2C3-4%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29%3B1H%2Fq%2B1%3B%2Fp-1,41.0,3.0,3.0,,4.0,,0.907000005245209,2.00999999046326,19.0, +InChI%3D1S%2FC5H11NS2.Na%2Fc1-3-6%284-2%295%287%298%3B%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B%2Fq%3B%2B1%2Fp-1,19.0,8.0,4.0,,3.0,,1.21700000762939,1.57000005245209,7.0, +InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1,24.0,10.0,3.0,-2.74909996986389,5.0,7.55755090713501,-2.94899988174438,1.67999994754791,9.0,32.4333000183105 +InChI%3D1S%2FC16H19ClN2O%2Fc1-19%282%2911-12-20-16%2815-5-3-4-10-18-15%2913-6-8-14%2817%299-7-13%2Fh3-10%2C16H%2C11-12H2%2C1-2H3,39.0,7.0,6.0,0.780799984931946,6.0,0.609648644924164,3.54500007629395,2.77999997138977,21.0,34.3484001159668 +InChI%3D1S%2FC17H25NO3%2Fc1-17%282%2C3%2918-10-12%2819%2911-21-16-9-5-6-13-14%2816%297-4-8-15%2813%2920%2Fh5-6%2C9%2C12%2C18-19H%2C4%2C7-8%2C10-11H2%2C1-3H3,46.0,10.0,9.0,-0.483000010251999,6.0,0.233289003372192,2.12100005149841,2.89000010490417,22.0,57.4786987304688 +InChI%3D1S%2FC19H25NO%2Fc1-2-10-20-11-9-19-8-4-3-5-16%2819%2918%2820%2912-14-6-7-15%2821%2913-17%2814%2919%2Fh2%2C6-7%2C13%2C16%2C18%2C21H%2C1%2C3-5%2C8-12H2%2Ft16-%2C18%2B%2C19%3F%2Fm0%2Fs1,46.0,3.0,7.0,-0.382699996232986,2.0,0.146459296345711,4.30299997329712,3.32999992370605,24.0,58.3129997253418 +InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,25.0,10.0,0.0,-1.29809999465942,6.0,1.68506360054016,-2.06399989128113,1.67999994754791,9.0,38.8650016784668 +InChI%3D1S%2FC22H28O5%2Fc1-12-8-16-15-5-4-13-9-14%2824%296-7-20%2813%2C2%2919%2815%2917%2825%2910-21%2816%2C3%2922%2812%2C27%2918%2826%2911-23%2Fh6-7%2C9%2C12%2C15-16%2C19%2C23%2C27H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%3F%2C16-%2C19%2B%2C20-%2C21-%2C22-%2Fm0%2Fs1,55.0,4.0,6.0,-1.06420004367828,2.0,1.1325216293335,0.90499997138977,3.32999992370605,30.0,100.808700561523 +InChI%3D1S%2FC10H14O3%2Fc1-8-4-2-3-5-10%288%2913-7-9%2812%296-11%2Fh2-5%2C9%2C11-12H%2C6-7H2%2C1H3,27.0,6.0,7.0,-0.459899991750717,4.0,0.211508005857468,1.2940000295639,2.23000001907349,13.0,25.0727005004883 +InChI%3D1S%2FC19H20N2O3%2Fc22-13-11-21%2812-14-23%2919-20-17%2815-7-3-1-4-8-15%2918%2824-19%2916-9-5-2-6-10-16%2Fh1-10%2C22-23H%2C11-14H2,44.0,7.0,6.0,-1.01510000228882,7.0,1.03042805194855,4.72700023651123,3.0,26.0,28.4951000213623 +InChI%3D1S%2FC18H20N2O6%2Fc1-5-26-18%2822%2915-11%283%2919-10%282%2914%2817%2821%2925-4%2916%2815%2912-7-6-8-13%289-12%2920%2823%2924%2Fh6-9%2C16%2C19H%2C5H2%2C1-4H3,46.0,5.0,11.0,0.401600003242493,7.0,0.161282554268837,4.33300018310547,2.55999994277954,27.0,66.4213027954102 +InChI%3D1S%2FC10H21N3O%2Fc1-4-12%285-2%2910%2814%2913-8-6-11%283%297-9-13%2Fh4-9H2%2C1-3H3,35.0,7.0,4.0,0.239600002765656,4.0,0.0574081614613533,0.123000003397465,2.11999988555908,14.0,57.3670997619629 +InChI%3D1S%2FC18H34N2O6S%2Fc1-5-6-10-7-11%2820%283%298-10%2917%2825%2919-12%289%282%2921%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C21-24H%2C5-8H2%2C1-4H3%2C%28H%2C19%2C25%29%2Ft9-%2C10-%2C11%2B%2C12-%2C13%2B%2C14-%2C15-%2C16-%2C18-%2Fm1%2Fs1,61.0,7.0,3.0,-1.67659997940063,7.0,2.81098747253418,0.745000004768372,2.45000004768372,28.0,100.360702514648 +InChI%3D1S%2FC17H25NO4%2Fc1-11%282%2916%2819%2921-14-7-6-13%288-9-18-5%2910-15%2814%2922-17%2820%2912%283%294%2Fh6-7%2C10-12%2C18H%2C8-9H2%2C1-5H3,47.0,6.0,12.0,1.23549997806549,9.0,1.52646028995514,3.1029999256134,2.77999997138977,22.0,60.9173011779785 +InChI%3D1S%2FC19H24N4O2%2Fc20-18%2821%2914-4-8-16%289-5-14%2924-12-2-1-3-13-25-17-10-6-15%287-11-17%2919%2822%2923%2Fh4-11H%2C1-3%2C12-13H2%2C%28H3%2C20%2C21%29%28H3%2C22%2C23%29,49.0,7.0,10.0,-2.10220003128052,10.0,4.41924476623535,4.03200006484985,2.89000010490417,26.0,38.7946014404297 +InChI%3D1S%2FC17H12Br2O3%2Fc1-2-13-15%2810-5-3-4-6-14%2810%2922-13%2916%2820%299-7-11%2818%2917%2821%2912%2819%298-9%2Fh3-8%2C21H%2C2H2%2C1H3,34.0,2.0,9.0,0.662699997425079,3.0,0.43917128443718,5.02099990844727,2.77999997138977,24.0,35.538200378418 +InChI%3D1S%2FC8H11N7S%2Fc9-7%2810%2914-12-5-1-3-6%284-2-5%2913-15-8%2811%2916%2Fh1-4H%2C%28H4%2C9%2C10%2C14%29%28H3%2C11%2C15%2C16%29,27.0,5.0,15.0,0.380899995565414,4.0,0.14508481323719,2.02900004386902,1.46000003814697,16.0,62.1339988708496 +InChI%3D1S%2FC14H16ClN3O4S2%2Fc15-10-5-11-13%286-12%2810%2923%2816%2C19%2920%2924%2821%2C22%2918-14%2817-11%299-4-7-1-2-8%289%293-7%2Fh1-2%2C5-9%2C14%2C17-18H%2C3-4H2%2C%28H2%2C16%2C19%2C20%29,40.0,3.0,15.0,-1.74259996414185,2.0,3.03665471076965,0.801999986171722,1.89999997615814,27.0,62.834098815918 +InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,35.0,3.0,5.0,-2.47090005874634,3.0,6.1053466796875,-1.29999995231628,1.78999996185303,20.0,64.4886016845703 +InChI%3D1S%2FC15H21N3O3S%2Fc1-11-5-7-14%288-6-11%2922%2820%2C21%2917-15%2819%2916-18-9-12-3-2-4-13%2812%2910-18%2Fh5-8%2C12-13H%2C2-4%2C9-10H2%2C1H3%2C%28H2%2C16%2C17%2C19%29,43.0,7.0,14.0,-0.210299998521805,4.0,0.0442260913550854,3.82200002670288,2.33999991416931,24.0,54.8643989562988 +InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,21.0,2.0,0.0,0.757499992847443,2.0,0.57380622625351,0.722000002861023,1.67999994754791,10.0,45.0453987121582 +InChI%3D1S%2FC19H30N2O5S%2Fc1-12%2817%2823%2921-10-6-9-15%2821%2918%2824%2925%2911-27-19%2826%2913%282%2920-16%2822%2914-7-4-3-5-8-14%2Fh12-15H%2C3-11H2%2C1-2H3%2C%28H%2C20%2C22%29%28H%2C24%2C25%29%2Ft12-%2C13-%2C15%2B%2Fm1%2Fs1,57.0,13.0,3.0,-1.50750005245209,9.0,2.27255630493164,2.18300008773804,2.67000007629395,28.0,94.2781982421875 +InChI%3D1S%2FC29H41NO4%2Fc1-25%282%2C3%2926%284%2C32%2920-15-27-10-11-29%2820%2C33-5%2924-28%2827%2912-13-30%2816-17-6-7-17%2921%2827%2914-18-8-9-19%2831%2923%2834-24%2922%2818%2928%2Fh8-9%2C17%2C20-21%2C24%2C31-32H%2C6-7%2C10-16H2%2C1-5H3%2Ft20-%2C21-%2C24-%2C26%2B%2C27%3F%2C28%2B%2C29-%2Fm1%2Fs1,75.0,7.0,8.0,0.351599991321564,5.0,0.123622559010983,3.87100005149841,4.09999990463257,40.0,105.786796569824 +InChI%3D1S%2FC34H28N6O14S4.4Na%2Fc1-15-11-17%283-7-21%2815%2937-39-23-9-5-19-25%2855%2843%2C44%2945%2913-27%2857%2849%2C50%2951%2931%2835%2929%2819%2933%2823%2941%2918-4-8-22%2816%282%2912-18%2938-40-24-10-6-20-26%2856%2846%2C47%2948%2914-28%2858%2852%2C53%2954%2932%2836%2930%2820%2934%2824%2942%3B%3B%3B%3B%2Fh3-14%2C41-42H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb39-37-%2C40-38-%3B%3B%3B%3B,86.0,3.0,56.0,,9.0,,4.69799995422363,2.11999988555908,63.0, +InChI%3D1S%2FC15H18ClN3O3S%2Fc16-11-1-2-13-12%289-11%2919%2815%2822%2923-13%2910-14%2821%2918-5-3-17%284-6-18%297-8-20%2Fh1-2%2C9%2C20H%2C3-8%2C10H2,41.0,3.0,9.0,0.00439999997615814,5.0,1.93600008060457e-05,0.100000001490116,2.23000001907349,25.0,66.5910034179688 +InChI%3D1S%2FC20H24ClN3S%2Fc1-22-11-13-23%2814-12-22%299-4-10-24-17-5-2-3-6-19%2817%2925-20-8-7-16%2821%2915-18%2820%2924%2Fh2-3%2C5-8%2C15H%2C4%2C9-14H2%2C1H3,49.0,3.0,13.0,1.25839996337891,4.0,1.58357059955597,4.09999990463257,3.10999989509583,28.0,58.9846000671387 +InChI%3D1S%2FC23H30NO3.BrH%2Fc1-16%282%2924%285%2C17%283%294%2914-15-26-23%2825%2922-18-10-6-8-12-20%2818%2927-21-13-9-7-11-19%2821%2922%3B%2Fh6-13%2C16-17%2C22H%2C14-15H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1,58.0,13.0,13.0,,7.0,,6.28299999237061,3.44000005722046,29.0, +InChI%3D1S%2FC15H21N3O2%2Fc1-15-7-8-17%283%2913%2815%2918%284%2912-6-5-10%289-11%2812%2915%2920-14%2819%2916-2%2Fh5-6%2C9%2C13H%2C7-8H2%2C1-4H3%2C%28H%2C16%2C19%29%2Ft13-%2C15%2B%2Fm1%2Fs1,41.0,5.0,11.0,1.13779997825623,2.0,1.294588804245,2.67700004577637,2.55999994277954,22.0,52.8977012634277 +InChI%3D1S%2FC18H24N4O%2Fc1-21-13-6-5-7-14%2821%2911-12%2810-13%2919-18%2823%2917-15-8-3-4-9-16%2815%2922%282%2920-17%2Fh3-4%2C8-9%2C12-14H%2C5-7%2C10-11H2%2C1-2H3%2C%28H%2C19%2C23%29%2Ft12-%2C13%2B%2C14-,47.0,3.0,8.0,-1.99500000476837,3.0,3.98002505302429,2.57399988174438,2.89000010490417,26.0,49.3825988769531 +InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29,29.0,4.0,3.0,-2.05229997634888,3.0,4.21193552017212,1.39100003242493,2.11999988555908,12.0,41.7888984680176 +InChI%3D1S%2FC42H69NO15%2Fc1-23%282%2919-32%2847%2956-40-27%286%2953-34%2822-42%2840%2C8%2950%2957-37-26%285%2954-41%2836%2849%2935%2837%2943%289%2910%2958-38-29%2817-18-44%2920-24%283%2930%2846%2916-14-12-13-15-25%284%2952-33%2848%2921-31%2839%2838%2951-11%2955-28%287%2945%2Fh12-14%2C16%2C18%2C23-27%2C29-31%2C34-41%2C46%2C49-50H%2C15%2C17%2C19-22H2%2C1-11H3%2Fb13-12%2B%2C16-14-%2Ft24-%2C25-%2C26-%2C27%2B%2C29%2B%2C30%2B%2C31-%2C34%2B%2C35-%2C36-%2C37-%2C38%2B%2C39%3F%2C40-%2C41%3F%2C42-%2Fm1%2Fs1,127.0,7.0,4.0,-0.798399984836578,14.0,0.637442588806152,2.95099997520447,4.32000017166138,60.0,207.953796386719 +InChI%3D1S%2FC10H12N4O5S%2Fc1-10%285-13-3-2-11-12-13%298%289%2816%2917%2914-6%2815%294-7%2814%2920%2810%2C18%2919%2Fh2-3%2C7-8H%2C4-5H2%2C1H3%2C%28H%2C16%2C17%29%2Ft7-%2C8%2B%2C10%2B%2Fm1%2Fs1,32.0,2.0,3.0,-1.11049997806549,3.0,1.2332102060318,-2.03399991989136,1.46000003814697,22.0,49.9976005554199 +InChI%3D1S%2FC16H17N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-6%2C10-11%2C15H%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1,41.0,5.0,8.0,-0.818499982357025,4.0,0.669942259788513,-1.00499999523163,2.33999991416931,26.0,63.6164016723633 +InChI%3D1S%2FC19H18N6O6S2.Na%2Fc1-24-19%2821-22-23-24%2933-8-11-7-32-17-12%2816%2828%2925%2817%2913%2811%2918%2829%2930%2920-15%2827%2914%2831-9-26%2910-5-3-2-4-6-10%3B%2Fh2-6%2C9%2C12%2C14%2C17H%2C7-8H2%2C1H3%2C%28H%2C20%2C27%29%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft12-%2C14-%2C17-%3B%2Fm1.%2Fs1,51.0,7.0,8.0,,9.0,,1.44599997997284,1.89999997615814,36.0, +InChI%3D1S%2FC12H13I3N2O3%2Fc1-5%2812%2819%2920%294-17%286%282%2918%2911-8%2814%293-7%2813%2910%2816%299%2811%2915%2Fh3%2C5H%2C4%2C16H2%2C1-2H3%2C%28H%2C19%2C20%29,33.0,10.0,10.0,2.95210003852844,5.0,8.71489429473877,2.88899993896484,1.89999997615814,20.0,80.2121963500977 +InChI%3D1S%2FC47H51NO14%2Fc1-25-31%2860-43%2856%2936%2852%2935%2828-16-10-7-11-17-28%2948-41%2854%2929-18-12-8-13-19-29%2923-47%2857%2940%2861-42%2855%2930-20-14-9-15-21-30%2938-45%286%2C32%2851%2922-33-46%2838%2C24-58-33%2962-27%283%2950%2939%2853%2937%2859-26%282%2949%2934%2825%2944%2847%2C4%295%2Fh7-21%2C31-33%2C35-38%2C40%2C51-52%2C57H%2C22-24H2%2C1-6H3%2C%28H%2C48%2C54%29%2Ft31-%2C32-%2C33%2B%2C35-%2C36%2B%2C37%2B%2C38-%2C40-%2C45%2B%2C46%3F%2C47%2B%2Fm0%2Fs1,113.0,9.0,9.0,-1.62320005893707,14.0,2.63477826118469,6.63600015640259,4.98000001907349,68.0,138.074905395508 +InChI%3D1S%2FC16H16N4O8S%2Fc1-26-19-9%288-3-2-4-27-8%2912%2821%2918-10-13%2822%2920-11%2815%2823%2924%297%285-28-16%2817%2925%296-29-14%2810%2920%2Fh2-4%2C10%2C14H%2C5-6H2%2C1H3%2C%28H2%2C17%2C25%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-9-%2Ft10-%2C14-%2Fm1%2Fs1,45.0,7.0,11.0,-0.384200006723404,8.0,0.147609636187553,0.428000003099442,1.78999996185303,31.0,80.6473007202148 +InChI%3D1S%2FC8H17NO5%2Fc10-2-1-9-3-6%2812%298%2814%297%2813%295%289%294-11%2Fh5-8%2C10-14H%2C1-4H2%2Ft5-%2C6%2B%2C7-%2C8-%2Fm1%2Fs1,31.0,3.0,0.0,-2.44350004196167,3.0,5.97069215774536,-2.25699996948242,1.67999994754791,14.0,48.1613998413086 +InChI%3D1S%2FC24H26N2O4%2Fc1-28-21-10-4-5-11-22%2821%2929-14-13-25-15-17%2827%2916-30-23-12-6-9-20-24%2823%2918-7-2-3-8-19%2818%2926-20%2Fh2-12%2C17%2C25-27H%2C13-16H2%2C1H3,55.0,9.0,14.0,-1.24469995498657,10.0,1.54927814006805,4.17500019073486,3.44000005722046,33.0,38.6652984619141 +InChI%3D1S%2FC19H17NO7%2Fc1-3-5-9-16-10%2813%2821%297-12%2818%2823%2924%2920%2816%294-2%296-11-14%2822%298-15%2819%2825%2926%2927-17%289%2911%2Fh6-8H%2C3-5H2%2C1-2H3%2C%28H%2C23%2C24%29%28H%2C25%2C26%29,48.0,3.0,12.0,-1.21430003643036,5.0,1.47452449798584,0.837999999523163,2.67000007629395,29.0,69.0578994750977 +InChI%3D1S%2FC17H11N5%2Fc18-9-13-1-5-15%286-2-13%2917%2822-12-20-11-21-22%2916-7-3-14%2810-19%294-8-16%2Fh1-8%2C11-12%2C17H,33.0,2.0,8.0,0.032200001180172,3.0,0.00103684002533555,3.01399993896484,2.77999997138977,24.0,18.6930999755859 +InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C12%2C15-18%2C22H%2C4-11H2%2C2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1,48.0,2.0,4.0,0.950399994850159,0.0,0.903260171413422,3.24399995803833,3.44000005722046,25.0,84.4141998291016 +InChI%3D1S%2FC5H5N5S%2Fc6-5-9-3-2%284%2811%2910-5%297-1-8-3%2Fh1H%2C%28H4%2C6%2C7%2C8%2C9%2C10%2C11%29,17.0,0.0,4.0,0.173700004816055,0.0,0.0301716905087233,0.533999979496002,1.35000002384186,12.0,23.0687999725342 +InChI%3D1S%2FC22H19ClO3%2Fc23-16-11-9-14%2810-12-16%2913-5-7-15%288-6-13%2919-20%2824%2917-3-1-2-4-18%2817%2921%2825%2922%2819%2926%2Fh1-4%2C9-13%2C15%2C26H%2C5-8H2%2Ft13-%2C15-,45.0,0.0,13.0,0.335999995470047,2.0,0.112896002829075,7.28000020980835,3.44000005722046,29.0,50.4244003295898 +InChI%3D1S%2FC18H14F4N2O4S%2Fc1-17%2826%2C10-29%2827%2C28%2914-6-3-12%2819%294-7-14%2916%2825%2924-13-5-2-11%289-23%2915%288-13%2918%2820%2C21%2922%2Fh2-8%2C26H%2C10H2%2C1H3%2C%28H%2C24%2C25%29%2Ft17-%2Fm0%2Fs1,43.0,10.0,11.0,0.811600029468536,6.0,0.658694565296173,3.89299988746643,2.23000001907349,30.0,45.9360008239746 +InChI%3D1S%2FC11H17NO3%2Fc1-7%282%2912-6-11%2815%298-3-4-9%2813%2910%2814%295-8%2Fh3-5%2C7%2C11-15H%2C6H2%2C1-2H3,32.0,7.0,8.0,-1.7878999710083,4.0,3.19658637046814,0.813000023365021,2.23000001907349,15.0,34.2991981506348 +InChI%3D1S%2FC19H26N2S%2Fc1-3-7-21-11-13%2812-22-2%298-16-15-5-4-6-17-19%2815%2914%2810-20-17%299-18%2816%2921%2Fh4-6%2C10%2C13%2C16%2C18%2C20H%2C3%2C7-9%2C11-12H2%2C1-2H3%2Ft13-%2C16%3F%2C18-%2Fm1%2Fs1,47.0,3.0,7.0,-0.0335999988019466,4.0,0.00112896005157381,4.40700006484985,3.22000002861023,25.0,58.0694007873535 +InChI%3D1S%2FC12H20N2O3S%2Fc1-9%282%2913-8-12%2815%2910-4-6-11%287-5-10%2914-18%283%2C16%2917%2Fh4-7%2C9%2C12-15H%2C8H2%2C1-3H3,38.0,7.0,10.0,-1.70150005817413,6.0,2.89510226249695,1.26400005817413,2.11999988555908,18.0,46.00830078125 +InChI%3D1S%2FC24H31FO6%2Fc1-13-9-18-17-6-5-15-10-16%2827%297-8-21%2815%2C3%2923%2817%2C25%2919%2828%2911-22%2818%2C4%2924%2813%2C30%2920%2829%2912-31-14%282%2926%2Fh7-8%2C10%2C13%2C17-19%2C28%2C30H%2C5-6%2C9%2C11-12H2%2C1-4H3%2Ft13-%2C17%2B%2C18%3F%2C19%3F%2C21%2B%2C22%2B%2C23%3F%2C24%2B%2Fm1%2Fs1,62.0,7.0,6.0,-0.564899981021881,4.0,0.319112002849579,1.44900000095367,3.32999992370605,34.0,110.446800231934 +InChI%3D1S%2FC18H22O5S.C4H10N2%2Fc1-18-9-8-14-13-5-3-12%2823-24%2820%2C21%2922%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2919%3B1-2-6-4-3-5-1%2Fh3%2C5%2C10%2C14-16H%2C2%2C4%2C6-9H2%2C1H3%2C%28H%2C20%2C21%2C22%29%3B5-6H%2C1-4H2%2Ft14-%2C15%3F%2C16%2B%2C18%2B%3B%2Fm1.%2Fs1,62.0,5.0,11.0,-0.743399977684021,2.0,0.552643537521362,,3.0,33.0,88.7710037231445 +InChI%3D1S%2FC19H19N7O6%2Fc20-19-25-15-14%2817%2830%2926-19%2923-11%288-22-15%297-21-10-3-1-9%282-4-10%2916%2829%2924-12%2818%2831%2932%295-6-13%2827%2928%2Fh1-4%2C8%2C12%2C21H%2C5-7H2%2C%28H%2C24%2C29%29%28H%2C27%2C28%29%28H%2C31%2C32%29%28H3%2C20%2C22%2C25%2C26%2C30%29%2Ft12-%2Fm0%2Fs1,53.0,12.0,10.0,-2.73110008239746,10.0,7.45890712738037,0.0790000036358833,2.11999988555908,34.0,57.6176986694336 +InChI%3D1S%2FC20H22ClN3O%2Fc1-3-24%284-2%2913-14-11-16%286-8-20%2814%2925%2923-18-9-10-22-19-12-15%2821%295-7-17%2818%2919%2Fh5-12%2C25H%2C3-4%2C13H2%2C1-2H3%2C%28H%2C22%2C23%29,47.0,6.0,18.0,0.593800008296967,6.0,0.352598428726196,4.03000020980835,3.10999989509583,27.0,39.0713996887207 +InChI%3D1S%2FC18H18N6O5S2%2Fc1-23-18%2820-21-22-23%2931-8-10-7-30-16-11%2815%2827%2924%2816%2912%2810%2917%2828%2929%2919-14%2826%2913%2825%299-5-3-2-4-6-9%2Fh2-6%2C11%2C13%2C16%2C25H%2C7-8H2%2C1H3%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%2Ft11-%2C13-%2C16-%2Fm1%2Fs1,49.0,5.0,8.0,-0.45320001244545,7.0,0.205390244722366,0.941999971866608,2.00999999046326,34.0,77.5571975708008 +InChI%3D1S%2FC16H25N3O%2Fc1-3-16%2820%2919%2815-9-5-6-10-17-15%2914%282%2913-18-11-7-4-8-12-18%2Fh5-6%2C9-10%2C14H%2C3-4%2C7-8%2C11-13H2%2C1-2H3,45.0,8.0,9.0,-1.36380004882812,6.0,1.85995042324066,2.71799993515015,2.77999997138977,21.0,52.9553985595703 +InChI%3D1S%2FC29H50O%2Fc1-7-21%2819%282%293%299-8-20%284%2925-12-13-26-24-11-10-22-18-23%2830%2914-16-28%2822%2C5%2927%2824%2915-17-29%2825%2C26%296%2Fh10%2C19-21%2C23-27%2C30H%2C7-9%2C11-18H2%2C1-6H3%2Ft20-%2C21-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C27%2B%2C28%2B%2C29-%2Fm1%2Fs1,80.0,10.0,2.0,1.29999995231628,6.0,1.69000005722046,11.5950002670288,4.53999996185303,33.0,123.876098632812 +InChI%3D1S%2FC16H18N2O5S%2Fc1-16%282%2912%2815%2821%2922%2918-13%2820%2911%2814%2818%2924-16%2917-10%2819%298-23-9-6-4-3-5-7-9%2Fh3-7%2C11-12%2C14H%2C8H2%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C21%2C22%29%2Ft11-%2C12%2B%2C14-%2Fm1%2Fs1,42.0,5.0,7.0,-0.309399992227554,5.0,0.0957283601164818,1.7389999628067,2.33999991416931,26.0,60.7028999328613 +InChI%3D1S%2FC25H30N2O5%2Fc1-3-32-25%2831%2921%2814-13-18-9-5-4-6-10-18%2926-17%282%2923%2828%2927-16-20-12-8-7-11-19%2820%2915-22%2827%2924%2829%2930%2Fh4-12%2C17%2C21-22%2C26H%2C3%2C13-16H2%2C1-2H3%2C%28H%2C29%2C30%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1,62.0,13.0,6.0,-1.60500001907349,11.0,2.57602500915527,6.38000011444092,3.44000005722046,34.0,67.4646987915039 +InChI%3D1S%2FC6H5NO2%2Fc8-6%289%295-2-1-3-7-4-5%2Fh1-4H%2C%28H%2C8%2C9%29,14.0,3.0,9.0,-0.239800006151199,1.0,0.0575040392577648,0.637000024318695,1.78999996185303,9.0,7.21929979324341 +InChI%3D1S%2FC11H12N2O2%2Fc12-9%2811%2814%2915%295-7-6-13-10-4-2-1-3-8%287%2910%2Fh1-4%2C6%2C9%2C13H%2C5%2C12H2%2C%28H%2C14%2C15%29%2Ft9-%2Fm0%2Fs1,26.0,6.0,7.0,-1.08440005779266,3.0,1.17592334747314,-0.84799998998642,2.23000001907349,16.0,19.6296005249023 +InChI%3D1S%2FC22H26N2O4%2Fc1-7-15-13%282%2923-24-22%2814-8-9-18%2825-3%2919%2810-14%2926-4%2917-12-21%2828-6%2920%2827-5%2911-16%2815%2917%2Fh8-12%2C15H%2C7H2%2C1-6H3,54.0,2.0,20.0,-0.789900004863739,6.0,0.623942017555237,4.29099988937378,3.22000002861023,30.0,60.3256988525391 +InChI%3D1S%2FC10H14N2O4S2%2Fc11-18%2815%2C16%2910-5-3-9%284-6-10%2912-7-1-2-8-17%2812%2C13%2914%2Fh3-6H%2C1-2%2C7-8H2%2C%28H2%2C11%2C15%2C16%29,32.0,3.0,14.0,-2.42580008506775,2.0,5.88450574874878,0.513999998569489,1.67999994754791,19.0,37.5307998657227 +InChI%3D1S%2FC19H26I3N3O9%2Fc1-8%2829%2925%284-11%2832%297-28%2917-15%2821%2912%2818%2833%2923-2-9%2830%295-26%2914%2820%2913%2816%2817%2922%2919%2834%2924-3-10%2831%296-27%2Fh9-11%2C26-28%2C30-32H%2C2-7H2%2C1H3%2C%28H%2C23%2C33%29%28H%2C24%2C34%29,60.0,9.0,15.0,0.180399999022484,13.0,0.0325441583991051,-1.16700005531311,1.89999997615814,34.0,125.138198852539 +InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29,21.0,2.0,8.0,0.308999985456467,2.0,0.0954810008406639,2.31500005722046,2.00999999046326,11.0,23.7005004882812 +InChI%3D1S%2FC10H14N2O3%2Fc1-4-5-10%286%282%293%297%2813%2911-9%2815%2912-8%2810%2914%2Fh4%2C6H%2C1%2C5H2%2C2-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,29.0,3.0,8.0,0.171100005507469,3.0,0.0292752105742693,2.1340000629425,2.00999999046326,15.0,53.2854995727539 +InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3-%2C4-%2C5-%2C6%3F%2Fm1%2Fs1,33.0,2.0,4.0,-1.73510003089905,2.0,3.01057195663452,-1.72200000286102,1.35000002384186,18.0,51.6804008483887 +InChI%3D1S%2FC8H15Cl3O3%2Fc1-5%284-7%282%2C3%2913%2914-6%2812%298%289%2C10%2911%2Fh5-6%2C12-13H%2C4H2%2C1-3H3,29.0,14.0,0.0,1.59630000591278,5.0,2.54817366600037,2.30699992179871,1.67999994754791,13.0,58.3811988830566 +InChI%3D1S%2FC29H35NO2%2Fc1-5-15-29%2832%2916-14-26-24-12-8-20-17-22%2831%2911-13-23%2820%2927%2824%2925%2818-28%2826%2C29%292%2919-6-9-21%2810-7-19%2930%283%294%2Fh6-7%2C9-10%2C17%2C24-26%2C32H%2C8%2C11-14%2C16%2C18H2%2C1-4H3%2Ft24-%2C25%2B%2C26-%2C28-%2C29-%2Fm0%2Fs1,67.0,3.0,7.0,2.00359988212585,2.0,4.01441287994385,4.91200017929077,4.32000017166138,36.0,106.910400390625 +InChI%3D1S%2FC16H13ClN2O%2Fc17-12-7-5-11%286-8-12%2916%2820%2914-4-2-1-3-13%2814%2915-18-9-10-19%2815%2916%2Fh1-8%2C20H%2C9-10H2,33.0,0.0,9.0,-0.373600006103516,1.0,0.139576956629753,4.49700021743774,2.77999997138977,23.0,28.4169998168945 +InChI%3D1S%2FC21H25N5O8S2%2Fc1-21%282%2914%2818%2829%2930%2926-16%2828%2913%2817%2826%2935-21%2922-15%2827%2912%2811-7-5-4-6-8-11%2923-19%2831%2924-9-10-25%2820%2824%2932%2936%283%2C33%2934%2Fh4-8%2C12-14%2C17H%2C9-10H2%2C1-3H3%2C%28H%2C22%2C27%29%28H%2C23%2C31%29%28H%2C29%2C30%29%2Ft12-%2C13-%2C14%2B%2C17-%2Fm1%2Fs1,61.0,7.0,10.0,-0.601199984550476,7.0,0.361441433429718,1.32400000095367,2.11999988555908,39.0,100.027397155762 +InChI%3D1S%2FC14H11Cl2NO2%2Fc15-10-5-3-6-11%2816%2914%2810%2917-12-7-2-1-4-9%2812%298-13%2818%2919%2Fh1-7%2C17H%2C8H2%2C%28H%2C18%2C19%29,30.0,4.0,13.0,0.863200008869171,4.0,0.745114266872406,4.11999988555908,2.45000004768372,20.0,26.2996997833252 +InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%2B%2C16%2B%2C17%2B%2C19%2B%2C20%2B%2C21%3F%2C22%2B%2Fm1%2Fs1,57.0,4.0,6.0,-0.944000005722046,2.0,0.89113599061966,1.13800001144409,3.22000002861023,31.0,101.295303344727 +InChI%3D1S%2FC20H30NO3.BrH%2Fc1-21%282%2913-12-18%2815-21%2924-19%2822%2914-20%2823%2C17-10-6-7-11-17%2916-8-4-3-5-9-16%3B%2Fh3-5%2C8-9%2C17-18%2C23H%2C6-7%2C10-15H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1,55.0,6.0,6.0,,6.0,,4.87400007247925,3.10999989509583,26.0, +InChI%3D1S%2FC9H11NO3%2Fc10-8%289%2812%2913%295-6-1-3-7%2811%294-2-6%2Fh1-4%2C8%2C11H%2C5%2C10H2%2C%28H%2C12%2C13%29%2Ft8-%2Fm0%2Fs1,24.0,6.0,7.0,-1.54470002651215,3.0,2.3860981464386,-1.57700002193451,2.00999999046326,13.0,22.1942005157471 +InChI%3D1S%2FC6H9NO3%2Fc1-6%282%294%288%297%283%295%289%2910-6%2Fh1-3H3,19.0,0.0,6.0,0.488900005817413,0.0,0.239023208618164,-0.00899999961256981,1.67999994754791,10.0,33.1990013122559 +InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18-%2C19%3F%2Fm0%2Fs1,49.0,0.0,2.0,0.174999997019768,0.0,0.0306250005960464,3.03500008583069,3.32999992370605,24.0,82.4268035888672 +InChI%3D1S%2FC23H29N3O%2Fc27-19-18-25-16-14-24%2815-17-25%2912-5-13-26-22-8-3-1-6-20%2822%2910-11-21-7-2-4-9-23%2821%2926%2Fh1-4%2C6-11%2C27H%2C5%2C12-19H2,56.0,3.0,15.0,-0.148100003600121,6.0,0.0219336096197367,4.39400005340576,3.54999995231628,30.0,62.1864013671875 +InChI%3D1S%2FC11H15NO4S%2Fc1-3-12%284-2%2917%2815%2C16%2910-7-5-9%286-8-10%2911%2813%2914%2Fh5-8H%2C3-4H2%2C1-2H3%2C%28H%2C13%2C14%29,32.0,8.0,13.0,-0.470899999141693,5.0,0.221746817231178,1.59200000762939,2.00999999046326,17.0,38.3418998718262 +InChI%3D1S%2FC35H60N2O4.2BrH%2Fc1-24%2838%2940-32-21-26-13-14-27-28%2835%2826%2C4%2923-31%2832%2937%286%2919-11-8-12-20-37%2915-16-34%283%2929%2827%2922-30%2833%2834%2941-25%282%2939%2936%285%2917-9-7-10-18-36%3B%3B%2Fh26-33H%2C7-23H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26-%2C27%2B%2C28-%2C29-%2C30-%2C31-%2C32-%2C33-%2C34-%2C35%3F%3B%3B%2Fm0..%2Fs1,103.0,4.0,3.0,,6.0,,8.28600025177002,4.42999982833862,46.0, +InChI%3D1S%2FC42H66O14%2Fc1-20-37%2849-6%2929%2843%2916-35%2851-20%2955-39-22%283%2953-36%2818-31%2839%2945%2956-38-21%282%2952-34%2817-30%2838%2944%2954-25-9-11-40%284%2924%2814-25%297-8-27-28%2840%2915-32%2846%2941%285%2926%2810-12-42%2827%2C41%2948%2923-13-33%2847%2950-19-23%2Fh13%2C20-22%2C24-32%2C34-39%2C43-46%2C48H%2C7-12%2C14-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%3F%2C28%2B%2C29%2B%2C30%3F%2C31%2B%2C32-%2C34%2B%2C35%2B%2C36%2B%2C37-%2C38-%2C39-%2C40%3F%2C41%3F%2C42%2B%2Fm1%2Fs1,122.0,2.0,5.0,-3.269700050354,8.0,10.6909379959106,2.26399993896484,4.53999996185303,63.0,189.215194702148 +InChI%3D1S%2FC9H13NO2%2Fc1-6%2810%299%2812%297-3-2-4-8%2811%295-7%2Fh2-6%2C9%2C11-12H%2C10H2%2C1H3%2Ft6-%2C9-%2Fm0%2Fs1,25.0,5.0,7.0,-1.72000002861023,2.0,2.95840001106262,0.533999979496002,2.11999988555908,12.0,22.0457992553711 +InChI%3D1S%2FC12H15Cl2NO5S%2Fc1-21%2819%2C20%298-4-2-7%283-5-8%2910%2817%299%286-16%2915-12%2818%2911%2813%2914%2Fh2-5%2C9-11%2C16-17H%2C6H2%2C1H3%2C%28H%2C15%2C18%29%2Ft9-%2C10-%2Fm1%2Fs1,36.0,11.0,9.0,-0.321399986743927,6.0,0.103297956287861,0.921999990940094,1.78999996185303,21.0,54.7587013244629 +InChI%3D1S%2FC23H32O4%2Fc1-14%2824%2927-13-21%2826%2920-7-6-18-17-5-4-15-12-16%2825%298-10-22%2815%2C2%2919%2817%299-11-23%2818%2C20%293%2Fh12%2C17-20H%2C4-11%2C13H2%2C1-3H3%2Ft17%3F%2C18-%2C19-%2C20%2B%2C22-%2C23-%2Fm0%2Fs1,59.0,7.0,4.0,0.624300003051758,4.0,0.389750480651855,4.52899980545044,3.54999995231628,30.0,102.761497497559 +InChI%3D1S%2FC15H21N3O2S3%2Fc1-15%282%2C3%2917-6-9%2819%297-21-14-18-10%288-22-14%2911-4-5-12%2823-11%2913%2816%2920%2Fh4-5%2C8-9%2C17%2C19H%2C6-7H2%2C1-3H3%2C%28H2%2C16%2C20%29,44.0,10.0,13.0,1.26269996166229,8.0,1.59441125392914,1.83299994468689,2.23000001907349,24.0,69.0093994140625 +InChI%3D1S%2FC23H30ClN3O%2Fc1-5-27%286-2%2913-7-8-16%283%2925-23-19-11-9-17%2824%2914-22%2819%2926-21-12-10-18%2828-4%2915-20%2821%2923%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3%2C%28H%2C25%2C26%29,58.0,11.0,16.0,0.209499999880791,8.0,0.0438902489840984,5.10799980163574,3.44000005722046,30.0,65.4521026611328 +InChI%3D1S%2FC17H17N7O8S4%2Fc1-23-16%2820-21-22-23%2934-4-5-3-33-15-17%2832-2%2C14%2831%2924%2815%297%285%2911%2829%2930%2919-9%2826%2913-35-12%2836-13%296%288%2818%2925%2910%2827%2928%2Fh13%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C18%2C25%29%28H%2C19%2C26%29%28H%2C27%2C28%29%28H%2C29%2C30%29%2Ft13%3F%2C15-%2C17%2B%2Fm1%2Fs1,53.0,7.0,8.0,1.01520001888275,9.0,1.03063106536865,-1.76699995994568,1.24000000953674,39.0,118.54630279541 +InChI%3D1S%2FC2H8O7P2%2Fc1-2%283%2C10%284%2C5%296%2911%287%2C8%299%2Fh3H%2C1H3%2C%28H2%2C4%2C5%2C6%29%28H2%2C7%2C8%2C9%29,19.0,11.0,4.0,-0.801800012588501,2.0,0.642883241176605,-3.81500005722046,0.689999997615814,10.0,33.3638000488281 +InChI%3D1S%2FC7H14N4%2Fc1-4-7%282%2C3%2911-6%289%2910-5-8%2Fh4H2%2C1-3H3%2C%28H3%2C9%2C10%2C11%29,25.0,11.0,6.0,0.02280000038445,4.0,0.000519839988555759,1.73399996757507,1.78999996185303,10.0,40.4336013793945 +InChI%3D1S%2FC21H32O%2Fc1-3-12-21%2822%2914-11-19-18-9-8-15-6-4-5-7-16%2815%2917%2818%2910-13-20%2819%2C21%292%2Fh3%2C6%2C16-19%2C22H%2C1%2C4-5%2C7-14H2%2C2H3%2Ft16-%2C17%2B%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1,54.0,3.0,2.0,1.25870001316071,2.0,1.58432567119598,6.29300022125244,3.66000008583069,25.0,89.2059020996094 +InChI%3D1S%2FC22H19NO4%2Fc1-15%2824%2926-19-10-6-17%287-11-19%2922%2821-5-3-4-14-23-21%2918-8-12-20%2813-9-18%2927-16%282%2925%2Fh3-14%2C22H%2C1-2H3,46.0,4.0,9.0,-0.163900002837181,7.0,0.0268632099032402,5.80999994277954,3.32999992370605,29.0,27.1564998626709 +InChI%3D1S%2FC19H22N2%2Fc1-16-7-9-17%2810-8-16%2918%2819-6-2-3-12-20-19%2911-15-21-13-4-5-14-21%2Fh2-3%2C6-12H%2C4-5%2C13-15H2%2C1H3,43.0,3.0,14.0,0.38620001077652,4.0,0.14915044605732,5.94399976730347,3.32999992370605,23.0,37.4584007263184 +InChI%3D1S%2FC22H27NO2%2Fc1-23-19%2815-21%2824%2917-9-4-2-5-10-17%2913-8-14-20%2823%2916-22%2825%2918-11-6-3-7-12-18%2Fh2-7%2C9-12%2C19-21%2C24H%2C8%2C13-16H2%2C1H3%2Ft19-%2C20%2B%2C21-%2Fm0%2Fs1,52.0,3.0,8.0,-1.87699997425079,6.0,3.52312898635864,6.14599990844727,3.54999995231628,27.0,42.8945999145508 +InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2910-8-18-19-13%282%2911-14-12-15%2822%295-6-16%2814%2917%2819%297-9-20%2818%2C21%293%2Fh1%2C13%2C17-19%2C23H%2C5-12H2%2C2-3H3%2Ft13-%2C17-%2C18%2B%2C19%3F%2C20%2B%2C21%2B%2Fm1%2Fs1,51.0,2.0,2.0,1.41760003566742,0.0,2.00958967208862,2.98799991607666,3.54999995231628,26.0,90.1719970703125 +InChI%3D1S%2FC21H26N2O7%2Fc1-12%282%2930-21%2825%2918-14%284%2922-13%283%2917%2820%2824%2929-10-9-28-5%2919%2818%2915-7-6-8-16%2811-15%2923%2826%2927%2Fh6-8%2C11-12%2C19%2C22H%2C9-10H2%2C1-5H3,56.0,7.0,11.0,-0.0297999996691942,10.0,0.000888039998244494,4.60300016403198,2.77999997138977,31.0,82.6696014404297 +InChI%3D1S%2FC11H17N3O3%2Fc1-3-17-10-9%288-12-13%282%2911%2810%2915%2914-4-6-16-7-5-14%2Fh8H%2C3-7H2%2C1-2H3,38.0,3.0,4.0,-1.04470002651215,3.0,1.09139811992645,-0.474000006914139,2.00999999046326,18.0,62.8465995788574 +InChI%3D1S%2FC19H30O3%2Fc1-17-11-22-16%2820%2910-12%2817%294-5-13-14%2817%296-8-18%282%2915%2813%297-9-19%2818%2C3%2921%2Fh12-15%2C21H%2C4-11H2%2C1-3H3%2Ft12-%2C13%2B%2C14-%2C15-%2C17%3F%2C18-%2C19-%2Fm0%2Fs1,52.0,0.0,3.0,0.853600025177002,0.0,0.728632986545563,4.15000009536743,3.22000002861023,25.0,82.2742004394531 +InChI%3D1S%2FC21H23NO3%2Fc1-22%282%2911-5-8-18-17-7-4-3-6-16%2817%2914-25-20-10-9-15%2812-19%2818%2920%2913-21%2823%2924%2Fh3-4%2C6-10%2C12H%2C5%2C11%2C13-14H2%2C1-2H3%2C%28H%2C23%2C24%29,48.0,6.0,15.0,-0.133900001645088,5.0,0.0179292093962431,4.1230001449585,3.32999992370605,27.0,49.1134986877441 +InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B,23.0,2.0,16.0,-1.28090000152588,3.0,1.64070475101471,0.880999982357025,1.35000002384186,18.0,32.3368988037109 +InChI%3D1S%2FC25H28N6O%2Fc1-2-3-10-22-26-25%2815-6-7-16-25%2924%2832%2931%2822%2917-18-11-13-19%2814-12-18%2920-8-4-5-9-21%2820%2923-27-29-30-28-23%2Fh4-5%2C8-9%2C11-14H%2C2-3%2C6-7%2C10%2C15-17H2%2C1H3%2C%28H%2C27%2C28%2C29%2C30%29,59.0,4.0,12.0,-1.42809998989105,7.0,2.03946971893311,7.05499982833862,3.44000005722046,36.0,51.6531982421875 +InChI%3D1S%2FC11H12I3NO2%2Fc1-2-5%2811%2816%2917%293-6-7%2812%294-8%2813%2910%2815%299%286%2914%2Fh4-5H%2C2-3%2C15H2%2C1H3%2C%28H%2C16%2C17%29,29.0,7.0,7.0,3.21040010452271,4.0,10.3066682815552,4.11700010299683,2.00999999046326,17.0,70.4664993286133 +InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29,42.0,3.0,9.0,0.670799970626831,5.0,0.449972629547119,1.09800004959106,2.55999994277954,26.0,39.5131988525391 +InChI%3D1S%2FC18H18ClNOS%2Fc1-20%282%299-10-21-16-11-13-5-3-4-6-17%2813%2922-18-8-7-14%2819%2912-15%2816%2918%2Fh3-8%2C11-12H%2C9-10H2%2C1-2H3,40.0,6.0,15.0,1.44280004501343,4.0,2.08167195320129,5.18200016021729,3.0,24.0,48.3903007507324 +InChI%3D1S%2FC14H22ClNO%2Fc1-11%2810-16%283%294%2914%282%2C17%299-12-5-7-13%2815%298-6-12%2Fh5-8%2C11%2C17H%2C9-10H2%2C1-4H3,39.0,10.0,6.0,1.12259995937347,5.0,1.26023077964783,3.19199991226196,2.67000007629395,17.0,48.5092010498047 +InChI%3D1S%2FC38H59FO6%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34%2843%2945-26-33%2842%2938%2844%2927%282%2923-31-30-20-19-28-24-29%2840%2921-22-35%2828%2C3%2937%2830%2C39%2932%2841%2925-36%2831%2C38%294%2Fh21-22%2C24%2C27%2C30-32%2C41%2C44H%2C5-20%2C23%2C25-26H2%2C1-4H3%2Ft27-%2C30%2B%2C31%3F%2C32%2B%2C35%2B%2C36%2B%2C37%3F%2C38%2B%2Fm1%2Fs1,104.0,21.0,6.0,-4.23269987106323,18.0,17.9157485961914,9.09899997711182,4.86999988555908,48.0,153.321105957031 +InChI%3D1S%2FC18H18N2%2Fc1-3-7-14%288-4-1%2918%2815-9-5-2-6-10-15%2913-16%2818%2917-19-11-12-20-17%2Fh1-10%2C16H%2C11-13H2%2C%28H%2C19%2C20%29,38.0,0.0,6.0,-0.870899975299835,3.0,0.758466839790344,7.10400009155273,3.22000002861023,23.0,28.9328994750977 +InChI%3D1S%2FC17H20N2S%2Fc1-13%2818%282%293%2912-19-14-8-4-6-10-16%2814%2920-17-11-7-5-9-15%2817%2919%2Fh4-11%2C13H%2C12H2%2C1-3H3,40.0,6.0,13.0,0.834100008010864,3.0,0.695722818374634,4.46299982070923,3.0,22.0,38.99169921875 +InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1,54.0,4.0,6.0,-0.857699990272522,2.0,0.735649287700653,1.02100002765656,3.22000002861023,29.0,97.1956024169922 +InChI%3D1S%2FC16H22ClN3O4%2Fc1-16%282%2C24-13-5-3-12%2817%294-6-13%2914%2821%2919-15%2822%2918-11-20-7-9-23-10-8-20%2Fh3-6H%2C7-11H2%2C1-2H3%2C%28H2%2C18%2C19%2C21%2C22%29,46.0,11.0,7.0,-0.305900007486343,6.0,0.093574807047844,1.75600004196167,2.33999991416931,25.0,65.4194030761719 +InChI%3D1S%2FC12H17ClO2%2Fc1-11%282%2C14%298-12%283%2C15%299-4-6-10%2813%297-5-9%2Fh4-7%2C14-15H%2C8H2%2C1-3H3,32.0,8.0,6.0,0.634800016880035,3.0,0.402971029281616,2.85199999809265,2.45000004768372,15.0,37.4137001037598 +InChI%3D1S%2FC18H14Cl4N2O%2Fc19-13-2-1-12%2816%2821%297-13%2910-25-18%289-24-6-5-23-11-24%2915-4-3-14%2820%298-17%2815%2922%2Fh1-8%2C11%2C18H%2C9-10H2,39.0,4.0,6.0,2.80909991264343,6.0,7.89104270935059,4.91099977493286,2.67000007629395,27.0,39.8017997741699 +InChI%3D1S%2FC27H33N3O8%2Fc1-26%2837%2913-7-6-8-16%2831%2917%2813%2921%2832%2918-14%2826%2911-15-20%2829%282%293%2922%2833%2919%2824%2835%2927%2815%2C38%2923%2818%2934%2925%2836%2928-12-30-9-4-5-10-30%2Fh6-8%2C14-15%2C20%2C31%2C33-34%2C37-38H%2C4-5%2C9-12H2%2C1-3H3%2C%28H%2C28%2C36%29%2Ft14%3F%2C15-%2C20-%2C26%2B%2C27%3F%2Fm0%2Fs1,71.0,4.0,12.0,-4.45709991455078,4.0,19.8657398223877,1.13300001621246,3.22000002861023,42.0,109.981597900391 +InChI%3D1S%2FC25H38O5%2Fc1-6-25%284%2C5%2924%2828%2930-21-12-15%282%2911-17-8-7-16%283%2920%2823%2817%2921%2910-9-19-13-18%2826%2914-22%2827%2929-19%2Fh7-8%2C11%2C15-16%2C18-21%2C23%2C26H%2C6%2C9-10%2C12-14H2%2C1-5H3%2Ft15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21-%2C23%3F%2Fm0%2Fs1,68.0,8.0,4.0,1.06379997730255,7.0,1.1316704750061,4.77500009536743,3.66000008583069,32.0,111.456298828125 +InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2%2C4%2C10-11%2C16%2C19H%2C3%2C5-8H2%2C1H3%2Ft10-%2C11%2B%2C16-%2C17%3F%2Fm0%2Fs1,40.0,0.0,8.0,-1.02610003948212,0.0,1.05288124084473,0.907000005245209,2.89000010490417,25.0,53.2988014221191 +InChI%3D1S%2FC17H19NO4%2Fc1-18-7-6-16-13-9-2-3-10%2819%2914%2813%2922-15%2816%2911%2820%294-5-17%2816%2C21%2912%2818%298-9%2Fh2-3%2C12%2C15%2C19%2C21H%2C4-8H2%2C1H3%2Ft12-%2C15%2B%2C16%2B%2C17%3F%2Fm1%2Fs1,41.0,0.0,8.0,-1.46519994735718,0.0,2.14681100845337,-0.00300000002607703,2.77999997138977,26.0,55.3636016845703 +InChI%3D1S%2FC19H30O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-17%2C20-21H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C17-%2C18-%2C19%3F%2Fm0%2Fs1,51.0,0.0,2.0,-0.394699990749359,0.0,0.155788093805313,3.64199995994568,3.32999992370605,24.0,81.4057006835938 +InChI%3D1S%2FC17H20N4O6%2Fc1-7-3-9-10%284-8%287%292%2921%285-11%2823%2914%2825%2912%2824%296-22%2915-13%2818-9%2916%2826%2920-17%2827%2919-15%2Fh3-4%2C11-12%2C14%2C22-25H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C26%2C27%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1,53.0,9.0,8.0,-1.96640002727509,5.0,3.86672902107239,-1.49899995326996,2.23000001907349,29.0,69.3387985229492 +InChI%3D1S%2FC49H76O21%2Fc1-20-43%2868-37-15-30%2853%2944%2821%282%2963-37%2969-38-16-32%2865-23%284%2951%2945%2822%283%2964-38%2970-46-42%2859%2941%2858%2940%2857%2933%2818-50%2967-46%2929%2852%2914-36%2862-20%2966-26-9-10-47%285%2925%2812-26%297-8-27-28%2847%2913-34%2855%2948%286%2939%2824-11-35%2856%2961-19-24%2931%2854%2917-49%2827%2C48%2960%2Fh11%2C20-22%2C25-34%2C36-46%2C50%2C52-55%2C57-60H%2C7-10%2C12-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C25%3F%2C26%3F%2C27-%2C28%2B%2C29%2B%2C30%3F%2C31%3F%2C32%2B%2C33-%2C34-%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40%3F%2C41%2B%2C42-%2C43-%2C44-%2C45-%2C46%2B%2C47%2B%2C48-%2C49%2B%2Fm1%2Fs1,146.0,4.0,5.0,-5.81230020523071,12.0,33.7828330993652,0.347000002861023,4.53999996185303,78.0,227.539505004883 +InChI%3D1S%2FC13H18Br2N2O%2Fc14-9-5-8%2813%2816%2912%2815%296-9%297-17-10-1-3-11%2818%294-2-10%2Fh5-6%2C10-11%2C17-18H%2C1-4%2C7%2C16H2%2Ft10-%2C11-,36.0,2.0,7.0,-1.09420001506805,3.0,1.1972736120224,2.5239999294281,2.33999991416931,19.0,50.4393005371094 +InChI%3D1S%2FC7H8O2%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5%2C8H%2C1H3,17.0,2.0,8.0,-0.512099981307983,1.0,0.262246400117874,1.38900005817413,2.00999999046326,9.0,9.8803997039795 +InChI%3D1S%2FC17H13N3O5S2%2Fc21-15%2813-3-1-2-4-14%2813%2916%2822%2923%2919-11-5-7-12%288-6-11%2927%2824%2C25%2920-17-18-9-10-26-17%2Fh1-10H%2C%28H%2C18%2C20%29%28H%2C19%2C21%29%28H%2C22%2C23%29,40.0,4.0,27.0,-1.22049999237061,7.0,1.48962020874023,3.04699993133545,2.23000001907349,29.0,33.5959014892578 +InChI%3D1S%2FC13H16N2O2%2Fc1-9%2816%2914-6-5-10-8-15-13-4-3-11%2817-2%297-12%2810%2913%2Fh3-4%2C7-8%2C15H%2C5-6H2%2C1-2H3%2C%28H%2C14%2C16%29,32.0,6.0,8.0,-0.0804999992251396,4.0,0.00648025004193187,1.87199997901917,2.45000004768372,18.0,30.1937999725342 +InChI%3D1S%2FC18H18N6O8S3%2Fc25-13%289-4-2-1-3-5-9%2914%2826%2919-11-15%2827%2924-12%2817%2828%2929%2910%286-33-16%2811%2924%297-34-18-20-21-22-23%2818%298-35%2830%2C31%2932%2Fh1-5%2C11%2C13%2C16%2C25H%2C6-8H2%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%28H%2C30%2C31%2C32%29%2Ft11-%2C13-%2C16-%2Fm1%2Fs1,53.0,5.0,8.0,-1.09150004386902,9.0,1.19137227535248,-0.527999997138977,1.57000005245209,38.0,87.013801574707 +InChI%3D1S%2FC21H32O3%2Fc1-12%2822%2916-6-7-17-15-5-4-13-10-14%2823%298-9-20%2813%2C2%2919%2815%2918%2824%2911-21%2816%2C17%293%2Fh13-17%2C19%2C23H%2C4-11H2%2C1-3H3%2Ft13-%2C14%2B%2C15%3F%2C16%2B%2C17-%2C19%2B%2C20-%2C21%2B%2Fm0%2Fs1,56.0,2.0,1.0,-0.33270001411438,1.0,0.110689289867878,3.59999990463257,3.44000005722046,27.0,89.3310012817383 +InChI%3D1S%2FC16H22N6O4%2Fc17-14%2824%2912-2-1-5-22%2812%2916%2826%2911%286-9-7-18-8-19-9%2921-15%2825%2910-3-4-13%2823%2920-10%2Fh7-8%2C10-12H%2C1-6H2%2C%28H2%2C17%2C24%29%28H%2C18%2C19%29%28H%2C20%2C23%29%28H%2C21%2C25%29%2Ft10-%2C11-%2C12-%2Fm0%2Fs1,47.0,7.0,3.0,-1.9128999710083,7.0,3.65918636322021,-0.638000011444092,2.11999988555908,28.0,65.2871017456055 +InChI%3D1S%2FC17H27NO4%2Fc1-17%282%2C3%2918-9-12%2819%2910-22-16-6-4-5-11-7-14%2820%2915%2821%298-13%2811%2916%2Fh4-6%2C12%2C14-15%2C18-21H%2C7-10H2%2C1-3H3%2Ft12%3F%2C14-%2C15%2B%2Fm1%2Fs1,49.0,10.0,7.0,-0.925000011920929,6.0,0.855624973773956,1.77400004863739,2.77999997138977,23.0,61.4622993469238 +InChI%3D1S%2FC11H17BrN.C7H8O3S%2Fc1-4-13%282%2C3%299-10-7-5-6-8-11%2810%2912%3B1-6-2-4-7%285-3-6%2911%288%2C9%2910%2Fh5-8H%2C4%2C9H2%2C1-3H3%3B2-5H%2C1H3%2C%28H%2C8%2C9%2C10%29%2Fq%2B1%3B%2Fp-1,48.0,6.0,10.0,-0.563499987125397,4.0,0.317532241344452,4.76399993896484,2.77999997138977,24.0,48.8389015197754 +InChI%3D1S%2FC20H38O7S.Na%2Fc1-5-9-11-16%287-3%2914-26-19%2821%2913-18%2828%2823%2C24%2925%2920%2822%2927-15-17%288-4%2912-10-6-2%3B%2Fh16-18H%2C5-15H2%2C1-4H3%2C%28H%2C23%2C24%2C25%29%3B%2Fq%3B%2B1%2Fp-1,66.0,28.0,3.0,,18.0,,5.03999996185303,2.67000007629395,27.0, +InChI%3D1S%2FC25H27N9O8S2%2Fc1-3-32-8-9-33%2821%2839%2920%2832%2938%2924%2842%2927-15%2812-4-6-14%2835%297-5-12%2918%2836%2926-16-19%2837%2934-17%2823%2840%2941%2913%2810-43-22%2816%2934%2911-44-25-28-29-30-31%2825%292%2Fh4-7%2C15-16%2C22%2C35H%2C3%2C8-11H2%2C1-2H3%2C%28H%2C26%2C36%29%28H%2C27%2C42%29%28H%2C40%2C41%29%2Ft15-%2C16-%2C22-%2Fm1%2Fs1,71.0,7.0,9.0,-0.910099983215332,10.0,0.828281998634338,-0.647000014781952,2.11999988555908,48.0,120.33260345459 +InChI%3D1S%2FC21H29NO%2Fc23-21%2819-7-3-1-4-8-19%2C13-16-22-14-5-2-6-15-22%2920-11-9-18%2817-20%2910-12-20%2Fh1%2C3-4%2C7-9%2C11%2C18%2C23H%2C2%2C5-6%2C10%2C12-17H2,52.0,4.0,6.0,-1.4180999994278,5.0,2.01100754737854,5.23600006103516,3.54999995231628,26.0,63.3623008728027 +InChI%3D1S%2FC56H78N2O16.2ClH%2Fc1-57%2823-19-37-33-45%2865-7%2953%2869-11%2955%2871-13%2949%2837%2939%2857%2927-35-29-41%2861-3%2951%2867-9%2942%2830-35%2962-4%2921-15-25-73-47%2859%2917-18-48%2860%2974-26-16-22-58%282%2924-20-38-34-46%2866-8%2954%2870-12%2956%2872-14%2950%2838%2940%2858%2928-36-31-43%2863-5%2952%2868-10%2944%2832-36%2964-6%3B%3B%2Fh29-34%2C39-40H%2C15-28H2%2C1-14H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft39-%2C40%2B%2C57-%2C58%3F%3B%3B%2Fm0..%2Fs1,154.0,14.0,9.0,,29.0,,5.23199987411499,5.42000007629395,79.0, +InChI%3D1S%2FC11H17N3O3S%2Fc1-2-3-8-13-11%2815%2914-18%2816%2C17%2910-6-4-9%2812%295-7-10%2Fh4-7H%2C2-3%2C8%2C12H2%2C1H3%2C%28H2%2C13%2C14%2C15%29,35.0,11.0,14.0,-1.98689997196198,6.0,3.94777154922485,1.7960000038147,1.89999997615814,18.0,40.0885009765625 +InChI%3D1S%2FC16H19N3O5S.3H2O%2Fc1-16%282%2911%2815%2823%2924%2919-13%2822%2910%2814%2819%2925-16%2918-12%2821%299%2817%297-3-5-8%2820%296-4-7%3B%3B%3B%2Fh3-6%2C9-11%2C14%2C20H%2C17H2%2C1-2H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%3B3%2A1H2%2Ft9-%2C10-%2C11%2B%2C14-%3B%3B%3B%2Fm1...%2Fs1,53.0,5.0,7.0,-1.32079994678497,4.0,1.74451267719269,,1.89999997615814,27.0,64.6313018798828 +InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,23.0,5.0,10.0,-0.488299995660782,3.0,0.23843689262867,1.74699997901917,2.11999988555908,12.0,20.5042991638184 +InChI%3D1S%2FC14H16N2O2%2Fc1-3-18-14%2817%2913-9-15-10-16%2813%2911%282%2912-7-5-4-6-8-12%2Fh4-11H%2C3H2%2C1-2H3,34.0,5.0,8.0,0.275700002908707,5.0,0.07601048797369,3.86700010299683,2.55999994277954,19.0,28.4768009185791 +InChI%3D1S%2FC30H46NO7P%2Fc1-4-28%2833%2937-30%2822%282%293%2938-39%2836%2C18-12-11-15-23-13-7-5-8-14-23%2921-27%2832%2931-20-25%2819-26%2831%2929%2834%2935%2924-16-9-6-10-17-24%2Fh5%2C7-8%2C13-14%2C22%2C24-26%2C30H%2C4%2C6%2C9-12%2C15-21H2%2C1-3H3%2C%28H%2C34%2C35%29%2Ft25-%2C26%2B%2C30%3F%2C39%3F%2Fm1%2Fs1,85.0,19.0,6.0,-2.26029992103577,16.0,5.10895586013794,8.34000015258789,3.76999998092651,41.0,105.54460144043 +InChI%3D1S%2FC20H27N5O3%2Fc1-4-24%2812-13-26%2910-11-25-16%2814-15-8-6-5-7-9-15%2921-18-17%2825%2919%2827%2923%283%2920%2828%2922%2818%292%2Fh5-9%2C26H%2C4%2C10-14H2%2C1-3H3,55.0,8.0,6.0,-0.518999993801117,8.0,0.269360989332199,2.73900008201599,2.77999997138977,30.0,68.3427963256836 +InChI%3D1S%2FC12H13Cl2N3%2Fc1-2-8-17%2812-15-6-7-16-12%2911-9%2813%294-3-5-10%2811%2914%2Fh2-5H%2C1%2C6-8H2%2C%28H%2C15%2C16%29,30.0,4.0,10.0,1.53719997406006,4.0,2.36298394203186,3.57399988174438,2.23000001907349,18.0,46.5279006958008 +InChI%3D1S%2FC26H30Cl2F3NO%2Fc1-3-5-10-32%2811-6-4-2%2912-9-25%2833%2923-16-22-21%2814-18%2827%2915-24%2822%2928%2920-13-17%2826%2829%2C30%2931%297-8-19%2820%2923%2Fh7-8%2C13-16%2C25%2C33H%2C3-6%2C9-12H2%2C1-2H3,63.0,13.0,14.0,0.78659999370575,11.0,0.618739545345306,8.51599979400635,3.54999995231628,35.0,67.0183029174805 +InChI%3D1S%2FC20H41N5O7%2Fc1-8%2821%2912-5-4-9%2822%2918%2830-12%2931-15-10%2823%296-11%2824%2916%2813%2815%2926%2932-19-14%2827%2917%2825-3%2920%282%2C28%297-29-19%2Fh8-19%2C25-28H%2C4-7%2C21-24H2%2C1-3H3%2Ft8%3F%2C9-%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15-%2C16%2B%2C17-%2C18%3F%2C19%3F%2C20%2B%2Fm1%2Fs1,73.0,2.0,0.0,-6.20109987258911,6.0,38.4536399841309,-3.26999998092651,2.33999991416931,34.0,107.770500183105 +InChI%3D1S%2FC20H28O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C12%2C14-18%2C21-22H%2C4-11H2%2C2H3%2Ft14-%2C15%3F%2C16%2B%2C17%3F%2C18-%2C19%3F%2C20-%2Fm0%2Fs1,50.0,2.0,2.0,0.487399995326996,0.0,0.237558767199516,3.51699995994568,3.44000005722046,25.0,83.4682006835938 +InChI%3D1S%2FC15H10Cl2N2O2%2Fc16-8-5-6-12-10%287-8%2913%2819-15%2821%2914%2820%2918-12%299-3-1-2-4-11%289%2917%2Fh1-7%2C15%2C21H%2C%28H%2C18%2C20%29,31.0,0.0,17.0,0.97869998216629,1.0,0.95785367488861,4.03900003433228,2.45000004768372,23.0,32.0710983276367 +InChI%3D1S%2FC19H22N2OS%2Fc1-14%2822%2915-9-10-19-17%2813-15%2921%2812-6-11-20%282%293%2916-7-4-5-8-18%2816%2923-19%2Fh4-5%2C7-10%2C13H%2C6%2C11-12H2%2C1-3H3,45.0,6.0,15.0,0.302899986505508,5.0,0.091748408973217,3.86299991607666,3.10999989509583,25.0,48.089298248291 +InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3%2Ft8-%2Fm0%2Fs1,23.0,4.0,6.0,-0.686600029468536,2.0,0.4714195728302,3.58200001716614,2.33999991416931,10.0,18.3840999603271 +InChI%3D1S%2FC18H37N5O8%2Fc19-4-6-1-2-7%2820%2917%2828-6%2930-15-8%2821%293-9%2822%2916%2814%2815%2927%2931-18-13%2826%2911%2823%2912%2825%2910%285-24%2929-18%2Fh6-18%2C24-27H%2C1-5%2C19-23H2%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1,68.0,2.0,0.0,-7.33790016174316,6.0,53.8447761535645,-4.78000020980835,2.00999999046326,33.0,99.7363967895508 +InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4-%2C5%3F%2C6-%2Fm1%2Fs1,24.0,2.0,0.0,-2.56360006332397,1.0,6.57204484939575,-1.74000000953674,1.46000003814697,12.0,36.3608016967773 +InChI%3D1S%2FC11H15NO%2Fc1-9-11%2813-8-7-12-9%2910-5-3-2-4-6-10%2Fh2-6%2C9%2C11-12H%2C7-8H2%2C1H3,28.0,0.0,6.0,-0.600799977779388,1.0,0.360960632562637,2.8289999961853,2.45000004768372,14.0,27.0380001068115 +InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,31.0,2.0,0.0,0.656300008296967,1.0,0.430729687213898,3.21099996566772,2.45000004768372,11.0,44.9238014221191 +InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2,41.0,0.0,9.0,-1.43060004711151,2.0,2.04661631584167,2.73000001907349,2.89000010490417,28.0,36.617000579834 +InChI%3D1S%2FC12H18N2O3S%2Fc1-3-4-9-13-12%2815%2914-18%2816%2C17%2911-7-5-10%282%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29,36.0,11.0,13.0,-0.595000028610229,6.0,0.35402500629425,3.35999989509583,2.11999988555908,18.0,41.3684997558594 +InChI%3D1S%2FC3H6N2O2%2Fc4-2-1-7-5-3%282%296%2Fh2H%2C1%2C4H2%2C%28H%2C5%2C6%29%2Ft2-%2Fm1%2Fs1,13.0,0.0,4.0,-1.1311000585556,0.0,1.27938723564148,-0.0240000002086163,1.35000002384186,7.0,22.3526000976562 +InChI%3D1S%2FC18H19N3O6S%2Fc1-9%2822%2927-7-11-8-28-17-13%2816%2824%2921%2817%2914%2811%2918%2825%2926%2920-15%2823%2912%2819%2910-5-3-2-4-6-10%2Fh2-6%2C12-13%2C17H%2C7-8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft12-%2C13-%2C17-%2Fm1%2Fs1,47.0,5.0,8.0,-1.5300999879837,7.0,2.34120607376099,-1.30200004577637,2.33999991416931,30.0,74.5426025390625 +InChI%3D1S%2FC18H16O3%2Fc1-2-13%2812-8-4-3-5-9-12%2916-17%2819%2914-10-6-7-11-15%2814%2921-18%2816%2920%2Fh3-11%2C13%2C19H%2C2H2%2C1H3,39.0,3.0,9.0,-1.01750004291534,3.0,1.03530621528625,6.26700019836426,3.10999989509583,23.0,28.2590007781982 +InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2-5%2C10-11%2C13%2C16%2C19-20H%2C6-8H2%2C1H3%2Ft10-%2C11%2B%2C13-%2C16%3F%2C17-%2Fm0%2Fs1,40.0,0.0,8.0,-0.717100024223328,0.0,0.514232397079468,0.796000003814697,2.89000010490417,25.0,56.0780982971191 +InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm0%2Fs1,54.0,13.0,6.0,0.39410001039505,9.0,0.155314803123474,7.62900018692017,3.54999995231628,26.0,51.3361015319824 +InChI%3D1S%2FC9H18N2O4%2Fc1-3-4-9%282%2C5-14-7%2810%2912%296-15-8%2811%2913%2Fh3-6H2%2C1-2H3%2C%28H2%2C10%2C12%29%28H2%2C11%2C13%29,33.0,15.0,4.0,1.05949997901917,8.0,1.12254023551941,2.97199988365173,1.78999996185303,14.0,50.878101348877 +InChI%3D1S%2FC9H9Cl2N3%2Fc10-6-2-1-3-7%2811%298%286%2914-9-12-4-5-13-9%2Fh1-3H%2C4-5H2%2C%28H2%2C12%2C13%2C14%29,23.0,0.0,10.0,0.818099975585938,2.0,0.669287621974945,2.39599990844727,1.89999997615814,15.0,31.6685009002686 +InChI%3D1S%2FC14H18N2O%2Fc1-10%282%2913-11%283%2915%284%2916%2814%2813%2917%2912-8-6-5-7-9-12%2Fh5-10H%2C1-4H3,37.0,2.0,10.0,-0.0901999995112419,2.0,0.00813603959977627,3.37800002098083,2.67000007629395,18.0,43.2221984863281 +InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1,68.0,4.0,19.0,-4.41879987716675,5.0,19.5257930755615,-1.67900002002716,3.10999989509583,43.0,85.2879028320312 +InChI%3D1S%2FC13H14ClNO2%2Fc1-9%2813%2816%2917%2910-4-5-12%2811%2814%298-10%2915-6-2-3-7-15%2Fh2-5%2C8-9H%2C6-7H2%2C1H3%2C%28H%2C16%2C17%29,31.0,5.0,7.0,1.30350005626678,3.0,1.69911229610443,2.40300011634827,2.45000004768372,18.0,44.8300018310547 +InChI%3D1S%2FC20H26N4O%2Fc1-4-24%285-2%2920%2825%2922-14-10-16-15-7-6-8-17-19%2815%2913%2811-21-17%299-18%2816%2923%283%2912-14%2Fh6-8%2C10-11%2C14%2C18%2C21H%2C4-5%2C9%2C12H2%2C1-3H3%2C%28H%2C22%2C25%29%2Ft14-%2C18%2B%2Fm0%2Fs1,50.0,8.0,9.0,0.879700005054474,4.0,0.773872077465057,3.21700000762939,3.10999989509583,28.0,64.9317016601562 +InChI%3D1S%2FC8H11N5O3%2Fc9-8-11-6-5%287%2815%2912-8%2910-3-13%286%294-16-2-1-14%2Fh3%2C14H%2C1-2%2C4H2%2C%28H3%2C9%2C11%2C12%2C15%29,29.0,5.0,4.0,-1.3701000213623,4.0,1.87717401981354,-0.986999988555908,1.46000003814697,17.0,37.6818008422852 +InChI%3D1S%2FC13H10N2O4%2Fc16-10-6-5-9%2811%2817%2914-10%2915-12%2818%297-3-1-2-4-8%287%2913%2815%2919%2Fh1-4%2C9H%2C5-6H2%2C%28H%2C14%2C16%2C17%29,29.0,0.0,11.0,-2.01990008354187,1.0,4.07999610900879,1.35500001907349,2.23000001907349,21.0,36.3844985961914 +InChI%3D1S%2FC8H18NO2.ClH%2Fc1-7%2811-8%282%2910%296-9%283%2C4%295%3B%2Fh7H%2C6H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1,30.0,11.0,3.0,,4.0,,0.875,1.89999997615814,10.0, +InChI%3D1S%2FC20H28N2O5%2Fc1-3-27-20%2826%2916%2812-11-15-8-5-4-6-9-15%2921-14%282%2918%2823%2922-13-7-10-17%2822%2919%2824%2925%2Fh4-6%2C8-9%2C14%2C16-17%2C21H%2C3%2C7%2C10-13H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft14-%2C16-%2C17-%2Fm0%2Fs1,55.0,13.0,6.0,-2.24340009689331,11.0,5.03284358978271,4.14099979400635,2.89000010490417,28.0,68.4225006103516 +InChI%3D1S%2FC17H14Cl2N2O2%2Fc18-11-5-6-15-13%287-11%2917%2812-3-1-2-4-14%2812%2919%299-23-10-21%2817%298-16%2822%2920-15%2Fh1-7H%2C8-10H2%2C%28H%2C20%2C22%29,37.0,0.0,9.0,0.796500027179718,1.0,0.634412229061127,4.0789999961853,2.67000007629395,26.0,40.0358009338379 +InChI%3D1S%2FC4H6N4O12%2Fc9-5%2810%2917-1-3%2819-7%2813%2914%294%2820-8%2815%2916%292-18-6%2811%2912%2Fh3-4H%2C1-2H2%2Ft3-%2C4%2B,26.0,20.0,4.0,-0.134399995207787,11.0,0.018063360825181,1.25600004196167,0.140000000596046,19.0,33.1641998291016 +InChI%3D1S%2FC25H32ClN5O2%2Fc1-2-24-27-31%2825%2832%2930%2824%2918-19-33-23-10-4-3-5-11-23%2913-7-12-28-14-16-29%2817-15-28%2922-9-6-8-21%2826%2920-22%2Fh3-6%2C8-11%2C20H%2C2%2C7%2C12-19H2%2C1H3,67.0,3.0,7.0,-0.731199979782104,10.0,0.534653425216675,5.40000009536743,3.32999992370605,36.0,78.8703002929688 +InChI%3D1S%2FC14H24N2O7%2Fc1-5-4-6%2817%2914%2820%2913%2821-5%2922-12-10%2819%297%2815-2%299%2818%298%2816-3%2911%2812%2923-14%2Fh5%2C7-13%2C15-16%2C18-20H%2C4H2%2C1-3H3%2Ft5-%2C7-%2C8%2B%2C9%2B%2C10%2B%2C11-%2C12%3F%2C13%2B%2C14%2B%2Fm1%2Fs1,47.0,2.0,1.0,-2.85770010948181,2.0,8.16644954681396,-1.91299998760223,2.00999999046326,25.0,75.6017990112305 +InChI%3D1S%2FC26H28ClNO%2Fc1-28%282%2919-20-29-24-15-13-23%2814-16-24%2926%2822-11-7-4-8-12-22%2925%2817-18-27%2921-9-5-3-6-10-21%2Fh3-16H%2C17-20H2%2C1-2H3,57.0,6.0,21.0,1.17499995231628,9.0,1.38062500953674,10.4650001525879,3.99000000953674,31.0,47.9929008483887 +InChI%3D1S%2FC12H17N3O4S%2Fc1-6%2816%299-7-4-8%2820-3-2-14-5-13%2910%2812%2818%2919%2915%287%2911%289%2917%2Fh5-7%2C9%2C16H%2C2-4H2%2C1H3%2C%28H2%2C13%2C14%29%28H%2C18%2C19%29%2Ft6-%2C7-%2C9-%2Fm1%2Fs1,37.0,6.0,8.0,-1.63100004196167,7.0,2.66016101837158,-0.193000003695488,1.89999997615814,21.0,74.236198425293 +InChI%3D1S%2FC18H17ClN2O2%2Fc1-12-10-21-11-17%2822%2920-16-8-7-14%2819%299-15%2816%2918%2821%2C23-12%2913-5-3-2-4-6-13%2Fh2-9%2C12H%2C10-11H2%2C1H3%2C%28H%2C20%2C22%29%2Ft12-%2C18%2B%2Fm1%2Fs1,40.0,0.0,9.0,0.35249999165535,1.0,0.124256253242493,4.86499977111816,2.89000010490417,26.0,39.4804992675781 +InChI%3D1S%2FC10H17N3S%2Fc1-2-5-12-7-3-4-8-9%286-7%2914-10%2811%2913-8%2Fh7%2C12H%2C2-6H2%2C1H3%2C%28H2%2C11%2C13%29%2Ft7-%2Fm0%2Fs1,33.0,4.0,3.0,-1.02830004692078,3.0,1.05740094184875,1.82599997520447,2.11999988555908,15.0,52.2442016601562 +InChI%3D1S%2FC20H24N2%2Fc1-15%2819-10-6-7-12-21-19%2920-17%2811-13-22%282%293%2914-16-8-4-5-9-18%2816%2920%2Fh4-10%2C12%2C15H%2C11%2C13-14H2%2C1-3H3,46.0,5.0,8.0,1.15120005607605,5.0,1.3252614736557,5.13700008392334,3.44000005722046,24.0,44.470100402832 +InChI%3D1S%2FC58H80N2O14.2ClH%2Fc1-59%2825-21-41-35-47%2863-3%2949%2865-5%2937-43%2841%2945%2859%2929-39-31-51%2867-7%2957%2871-11%2952%2832-39%2968-8%2923-17-27-73-55%2861%2919-15-13-14-16-20-56%2862%2974-28-18-24-60%282%2926-22-42-36-48%2864-4%2950%2866-6%2938-44%2842%2946%2860%2930-40-33-53%2869-9%2958%2872-12%2954%2834-40%2970-10%3B%3B%2Fh13-14%2C31-38%2C45-46H%2C15-30H2%2C1-12H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Fb14-13%2B%3B%3B,156.0,18.0,9.0,,30.0,,7.45800018310547,5.8600001335144,79.0, +InChI%3D1S%2FC42H30N6O12%2Fc49-37%2825-7-1-13-43-19-25%2955-31-32%2856-38%2850%2926-8-2-14-44-20-26%2934%2858-40%2852%2928-10-4-16-46-22-28%2936%2860-42%2854%2930-12-6-18-48-24-30%2935%2859-41%2853%2929-11-5-17-47-23-29%2933%2831%2957-39%2851%2927-9-3-15-45-21-27%2Fh1-24%2C31-36H%2Ft31-%2C32-%2C33-%2C34%2B%2C35-%2C36%3F%2Fm1%2Fs1,90.0,3.0,9.0,-0.848999977111816,18.0,0.720800995826721,4.71000003814697,4.09999990463257,66.0,58.1375999450684 +InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25%2C27-28%2C31-32H%2C7H2%2C1-3H3%2C%28H2%2C23%2C30%29%2Ft9-%2C10-%2C15-%2C21%2B%2C22%3F%2Fm0%2Fs1,56.0,3.0,12.0,-2.81279993057251,2.0,7.91184377670288,0.834999978542328,2.77999997138977,35.0,87.5391006469727 +InChI%3D1S%2FC24H32O6%2Fc1-13-9-16-17-6-8-24%2829%2C20%2828%2912-30-14%282%2925%2923%2817%2C4%2911-19%2827%2921%2816%2922%283%297-5-15%2826%2910-18%2813%2922%2Fh5%2C7%2C10%2C13%2C16-17%2C19%2C21%2C27%2C29H%2C6%2C8-9%2C11-12H2%2C1-4H3%2Ft13-%2C16%3F%2C17-%2C19-%2C21%2B%2C22%3F%2C23%3F%2C24-%2Fm0%2Fs1,62.0,7.0,6.0,-0.600799977779388,4.0,0.360960632562637,1.83599996566772,3.44000005722046,33.0,110.430603027344 +InChI%3D1S%2FC23H29ClFN3O4%2Fc1-30-21-13-19%2826%2918%2824%2912-17%2821%2923%2829%2927-20-8-10-28%2814-22%2820%2931-2%299-3-11-32-16-6-4-15%2825%295-7-16%2Fh4-7%2C12-13%2C20%2C22H%2C3%2C8-11%2C14%2C26H2%2C1-2H3%2C%28H%2C27%2C29%29,61.0,4.0,11.0,-0.594500005245209,9.0,0.353430241346359,3.27300000190735,3.0,34.0,69.7097015380859 +InChI%3D1S%2FC15H14F3N3O4S2%2Fc16-15%2817%2C18%2910-7-11-13%288-12%2810%2926%2819%2C22%2923%2927%2824%2C25%2921-14%2820-11%296-9-4-2-1-3-5-9%2Fh1-5%2C7-8%2C14%2C20-21H%2C6H2%2C%28H2%2C19%2C22%2C23%29,41.0,4.0,15.0,-0.807500004768372,4.0,0.652056276798248,3.48000001907349,1.78999996185303,29.0,39.6470985412598 +InChI%3D1S%2FC14H10O5%2Fc15-11-7-3-1-5-9%2811%2914%2818%2919-12-8-4-2-6-10%2812%2913%2816%2917%2Fh1-8%2C15H%2C%28H%2C16%2C17%29,29.0,3.0,19.0,-0.79119998216629,4.0,0.625997424125671,3.81100010871887,2.45000004768372,20.0,16.0755996704102 +InChI%3D1S%2FC6H11IO3%2Fc7-2-1-6-9-4-5%283-8%2910-6%2Fh5-6%2C8H%2C1-4H2,21.0,3.0,0.0,0.480199992656708,3.0,0.230592042207718,0.782999992370605,1.67999994754791,10.0,43.3726005554199 +InChI%3D1S%2FC10H15N%2Fc1-10%282%2C11%298-9-6-4-3-5-7-9%2Fh3-7H%2C8%2C11H2%2C1-2H3,26.0,5.0,6.0,0.165399998426437,2.0,0.0273571591824293,3.99900007247925,2.45000004768372,11.0,22.7446994781494 +InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,10.0,5.0,3.0,-1.19149994850159,1.0,1.41967225074768,-3.34999990463257,1.35000002384186,4.0,16.0034008026123 +InChI%3D1S%2FC14H19NO5%2Fc1-17-11-8-10%289-12%2818-2%2913%2811%2919-3%2914%2816%2915-4-6-20-7-5-15%2Fh8-9H%2C4-7H2%2C1-3H3,39.0,2.0,12.0,-0.897899985313416,5.0,0.806224405765533,0.232999995350838,2.33999991416931,21.0,49.8568000793457 +InChI%3D1S%2FC10H13ClN2O3S%2Fc1-2-7-12-10%2814%2913-17%2815%2C16%299-5-3-8%2811%294-6-9%2Fh3-6H%2C2%2C7H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,30.0,10.0,13.0,-0.204699993133545,5.0,0.0419020913541317,2.3529999256134,1.78999996185303,17.0,38.5704002380371 +InChI%3D1S%2FC14H10F3NO2%2Fc15-14%2816%2C17%299-4-3-5-10%288-9%2918-12-7-2-1-6-11%2812%2913%2819%2920%2Fh1-8%2C18H%2C%28H%2C19%2C20%29,30.0,3.0,16.0,0.437900006771088,4.0,0.191756412386894,5.47900009155273,2.33999991416931,21.0,16.9538993835449 +InChI%3D1S%2FC2H4Cl3O4P%2Fc3-2%284%2C5%291-9-10%286%2C7%298%2Fh1H2%2C%28H2%2C6%2C7%2C8%29,14.0,10.0,5.0,1.30369997024536,3.0,1.69963371753693,0.108000002801418,0.800000011920929,9.0,38.5150985717773 +InChI%3D1S%2FC23H27N5O7S%2Fc1-4-26-10-11-27%2819%2832%2918%2826%2931%2922%2835%2925-13%2812-8-6-5-7-9-12%2916%2829%2924-14-17%2830%2928-15%2821%2833%2934%2923%282%2C3%2936-20%2814%2928%2Fh5-9%2C13-15%2C20H%2C4%2C10-11H2%2C1-3H3%2C%28H%2C24%2C29%29%28H%2C25%2C35%29%28H%2C33%2C34%29%2Ft13-%2C14-%2C15%2B%2C20-%2Fm1%2Fs1,63.0,7.0,9.0,-0.567499995231628,7.0,0.322056263685226,1.69500005245209,2.55999994277954,39.0,100.620002746582 +InChI%3D1S%2FC8H8N4%2Fc9-11-8-7-4-2-1-3-6%287%295-10-12-8%2Fh1-5H%2C9H2%2C%28H%2C11%2C12%29,22.0,2.0,11.0,-1.48090004920959,0.0,2.19306492805481,1.80900001525879,1.89999997615814,13.0,21.9948997497559 +InChI%3D1S%2FC20H33N2O.CH4O4S%2Fc1-22%282%2915-13-21%2814-16-22%2917-20%2823%2C18-9-5-3-6-10-18%2919-11-7-4-8-12-19%3B1-5-6%282%2C3%294%2Fh3%2C5-6%2C9-10%2C19%2C23H%2C4%2C7-8%2C11-17H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,65.0,6.0,6.0,-3.65680003166199,5.0,13.3721866607666,2.39400005340576,2.89000010490417,30.0,78.8497009277344 +InChI%3D1S%2FC20H25NO2S2%2Fc1-14-7-11-24-18%2814%2917%2819-15%282%298-12-25-19%296-4-10-21-9-3-5-16%2813-21%2920%2822%2923%2Fh6-8%2C11-12%2C16H%2C3-5%2C9-10%2C13H2%2C1-2H3%2C%28H%2C22%2C23%29%2Ft16-%2Fm1%2Fs1,50.0,4.0,12.0,2.08049988746643,6.0,4.32848024368286,4.01200008392334,3.10999989509583,27.0,73.840202331543 +InChI%3D1S%2FC10H12ClN5O3%2Fc11-10-14-8%2812%297-9%2815-10%2916%283-13-7%296-1-4%2818%295%282-17%2919-6%2Fh3-6%2C17-18H%2C1-2H2%2C%28H2%2C12%2C14%2C15%29%2Ft4-%2C5%2B%2C6%2B%2Fm0%2Fs1,31.0,2.0,9.0,-1.75680005550385,2.0,3.08634614944458,-0.691999971866608,1.57000005245209,21.0,37.4575996398926 +InChI%3D1S%2FC12H10N2O5%2Fc1-2-14-7-4-9-8%2818-5-19-9%293-6%287%2911%2815%2910%2813-14%2912%2816%2917%2Fh3-4H%2C2%2C5H2%2C1H3%2C%28H%2C16%2C17%29,31.0,2.0,12.0,-1.01789999008179,2.0,1.03612041473389,0.680999994277954,2.00999999046326,21.0,39.548698425293 +InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,31.0,9.0,7.0,1.44589996337891,5.0,2.09062671661377,3.21000003814697,2.33999991416931,16.0,37.2849006652832 +InChI%3D1S%2FC22H24ClN3O%2Fc1-25-13-4-5-18%2812-14-25%2926-22%2827%2920-7-3-2-6-19%2820%2921%2824-26%2915-16-8-10-17%2823%2911-9-16%2Fh2-3%2C6-11%2C18H%2C4-5%2C12-15H2%2C1H3,53.0,0.0,10.0,-1.07459998130798,3.0,1.15476512908936,5.77199983596802,3.32999992370605,30.0,54.7722015380859 +InChI%3D1S%2FC6H14N4O2%2Fc7-4%285%2811%2912%292-1-3-10-6%288%299%2Fh4H%2C1-3%2C7H2%2C%28H%2C11%2C12%29%28H4%2C8%2C9%2C10%29,26.0,12.0,4.0,-2.18070006370544,6.0,4.75545263290405,-2.92400002479553,1.46000003814697,11.0,36.4992980957031 +InChI%3D1S%2FC28H38O7%2Fc1-5-6-7-24%2833%2935-28%2823%2832%2916-34-17%282%2929%2913-11-21-20-9-8-18-14-19%2830%2910-12-26%2818%2C3%2925%2820%2922%2831%2915-27%2821%2C28%294%2Fh10%2C12%2C14%2C20-22%2C25%2C31H%2C5-9%2C11%2C13%2C15-16H2%2C1-4H3%2Ft20%3F%2C21-%2C22-%2C25%2B%2C26-%2C27-%2C28-%2Fm0%2Fs1,73.0,7.0,6.0,-0.599300026893616,9.0,0.359160482883453,3.46300005912781,3.76999998092651,38.0,126.34529876709 +InChI%3D1S%2FC9H19N%2Fc1-8%282%296-5-7-9%283%2910-4%2Fh6%2C9-10H%2C5%2C7H2%2C1-4H3,29.0,10.0,2.0,1.20659995079041,4.0,1.45588350296021,2.42300009727478,2.33999991416931,9.0,45.7593994140625 +InChI%3D1S%2FC22H27NO2%2Fc1-4-22%2824%2910-8-18-16-6-5-15-11-19-14%2813-23-25-19%2912-20%2815%2C2%2917%2816%297-9-21%2818%2C22%293%2Fh1%2C11%2C13%2C16-18%2C24H%2C5-10%2C12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2Fm0%2Fs1,52.0,2.0,2.0,1.91089999675751,0.0,3.65153884887695,4.47200012207031,3.54999995231628,29.0,81.6821975708008 +InChI%3D1S%2FC38H69NO13%2Fc1-15-26-38%2810%2C45%2931%2842%2921%284%2928%2840%2919%282%2917-37%289%2C47-14%2933%2852-35-29%2841%2925%2839%2811%2912%2916-20%283%2948-35%2922%285%2930%2823%286%2934%2844%2950-26%2951-27-18-36%288%2C46-13%2932%2843%2924%287%2949-27%2Fh19-27%2C29-33%2C35%2C41-43%2C45H%2C15-18H2%2C1-14H3%2Ft19-%2C20-%2C21%2B%2C22%3F%2C23-%2C24%2B%2C25%3F%2C26-%2C27%2B%2C29-%2C30%2B%2C31-%2C32%2B%2C33-%2C35%2B%2C36-%2C37-%2C38-%2Fm1%2Fs1,121.0,2.0,3.0,-2.05360007286072,8.0,4.21727275848389,1.6599999666214,4.09999990463257,54.0,186.231994628906 +InChI%3D1S%2FC24H32O4%2Fc1-4-22%2825%2927-16-7-9-17-15%2814-16%296-8-19-18%2817%2912-13-24%283%2920%2819%2910-11-21%2824%2928-23%2826%295-2%2Fh7%2C9%2C14%2C18-21H%2C4-6%2C8%2C10-13H2%2C1-3H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C24%3F%2Fm1%2Fs1,60.0,5.0,9.0,0.440699994564056,6.0,0.19421648979187,6.63199996948242,3.66000008583069,31.0,80.9460983276367 +InChI%3D1S%2FC4H4FN3O%2Fc5-2-1-7-4%289%298-3%282%296%2Fh1H%2C%28H3%2C6%2C7%2C8%2C9%29,17.0,0.0,3.0,-0.30469998717308,0.0,0.09284208714962,-0.646000027656555,1.35000002384186,9.0,26.8586006164551 +InChI%3D1S%2FC23H36O3%2Fc1-5-21%2825%2926-20-9-8-17-16-7-6-15-12-19%2824%2914%282%2913-23%2815%2C4%2918%2816%2910-11-22%2817%2C20%293%2Fh14-18%2C20H%2C5-13H2%2C1-4H3%2Ft14-%2C15%2B%2C16%2B%2C17%3F%2C18%2B%2C20%2B%2C22%2B%2C23%2B%2Fm1%2Fs1,62.0,5.0,3.0,0.991999983787537,3.0,0.984063982963562,5.78399991989136,3.66000008583069,29.0,98.7221984863281 +InChI%3D1S%2FC9H18N6%2Fc1-13%282%297-10-8%2814%283%294%2912-9%2811-7%2915%285%296%2Fh1-6H3,33.0,3.0,9.0,0.653400003910065,3.0,0.42693156003952,0.284999996423721,1.78999996185303,15.0,42.8741989135742 +InChI%3D1S%2FC18H22N2%2Fc1-19-13-6-14-20-17-9-4-2-7-15%2817%2911-12-16-8-3-5-10-18%2816%2920%2Fh2-5%2C7-10%2C19H%2C6%2C11-14H2%2C1H3,42.0,5.0,13.0,-0.444900006055832,4.0,0.19793601334095,5.00500011444092,3.22000002861023,22.0,33.961498260498 +InChI%3D1S%2FC28H40Cl2N4O2.2ClH%2Fc1-5-33%286-2%2C21-23-13-9-11-15-25%2823%2929%2919-17-31-27%2835%2928%2836%2932-18-20-34%287-3%2C8-4%2922-24-14-10-12-16-26%2824%2930%3B%3B%2Fh9-16H%2C5-8%2C17-22H2%2C1-4H3%3B2%2A1H,80.0,22.0,6.0,-1.8860000371933,15.0,3.55699610710144,6.93200016021729,3.44000005722046,37.0,91.4899978637695 +InChI%3D1S%2FC32H44F3N3O2S%2Fc1-2-3-4-5-6-7-8-14-31%2839%2940-24-23-37-21-19-36%2820-22-37%2917-11-18-38-27-12-9-10-13-29%2827%2941-30-16-15-26%2825-28%2830%2938%2932%2833%2C34%2935%2Fh9-10%2C12-13%2C15-16%2C25H%2C2-8%2C11%2C14%2C17-24H2%2C1H3,85.0,14.0,13.0,-0.487899988889694,17.0,0.238046407699585,9.38500022888184,3.99000000953674,44.0,100.652099609375 +InChI%3D1S%2FC15H10ClN3O3%2Fc16-12-4-2-1-3-10%2812%2915-11-7-9%2819%2821%2922%295-6-13%2811%2918-14%2820%298-17-15%2Fh1-7H%2C8H2%2C%28H%2C18%2C20%29,32.0,2.0,20.0,0.308699995279312,2.0,0.0952956900000572,3.76200008392334,2.33999991416931,24.0,28.1429004669189 +InChI%3D1S%2FC20H25ClN2O5%2Fc1-4-28-20%2825%2918-15%2811-27-10-9-22%2923-12%282%2916%2819%2824%2926-3%2917%2818%2913-7-5-6-8-14%2813%2921%2Fh5-8%2C17%2C23H%2C4%2C9-11%2C22H2%2C1-3H3,53.0,5.0,11.0,-0.116200000047684,10.0,0.0135024404153228,3.24799990653992,2.77999997138977,29.0,83.3964004516602 +InChI%3D1S%2FC17H20N2O6S%2Fc1-17%282%2912%2816%2822%2923%2919-14%2821%2911%2815%2819%2926-17%2918-13%2820%2910-8%2824-3%296-5-7-9%2810%2925-4%2Fh5-7%2C11-12%2C15H%2C1-4H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft11-%2C12%2B%2C15-%2Fm1%2Fs1,46.0,3.0,11.0,-0.0571000017225742,5.0,0.00326040992513299,0.939000010490417,2.33999991416931,28.0,69.1533966064453 +InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,14.0,3.0,9.0,-0.0816000029444695,1.0,0.00665856013074517,0.0350000001490116,1.57000005245209,9.0,8.47640037536621 +InChI%3D1S%2FC16H18N3S.ClH%2Fc1-18%282%2911-5-7-13-15%289-11%2920-16-10-12%2819%283%294%296-8-14%2816%2917-13%3B%2Fh5-10H%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1,39.0,3.0,16.0,,2.0,,3.73300004005432,2.67000007629395,22.0, +InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5-%2C6-%2C7-%2C8%3F%2Fm1%2Fs1,36.0,9.0,6.0,-1.07469999790192,6.0,1.15498006343842,-1.57200002670288,1.24000000953674,20.0,65.4400024414062 +InChI%3D1S%2FC11H12N4O3S%2Fc1-18-9-6-13-11%2814-7-9%2915-19%2816%2C17%2910-4-2-8%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29,31.0,4.0,18.0,-1.73819994926453,4.0,3.02133917808533,0.296000003814697,1.78999996185303,20.0,22.679500579834 +InChI%3D1S%2FC34H50O7%2Fc1-29%282%2923-10-13-34%287%2927%2832%2823%2C5%2912-11-24%2829%2941-26%2838%299-8-25%2836%2937%2922%2835%2918-20-21-19-31%284%2C28%2839%2940%2915-14-30%2821%2C3%2916-17-33%2820%2C34%296%2Fh18%2C21%2C23-24%2C27H%2C8-17%2C19H2%2C1-7H3%2C%28H%2C36%2C37%29%28H%2C39%2C40%29%2Ft21-%2C23-%2C24-%2C27%2B%2C30%2B%2C31-%2C32%3F%2C33%2B%2C34%2B%2Fm0%2Fs1,91.0,8.0,4.0,1.88209998607635,6.0,3.54230046272278,6.85500001907349,4.42999982833862,45.0,154.325103759766 +InChI%3D1S%2FC24H19NO5%2Fc1-15%2826%2929-19-11-7-17%288-12-19%2924%2818-9-13-20%2814-10-18%2930-16%282%2927%2921-5-3-4-6-22%2821%2925-23%2824%2928%2Fh3-14H%2C1-2H3%2C%28H%2C25%2C28%29,49.0,4.0,9.0,-0.61379998922348,6.0,0.376750439405441,5.90100002288818,3.44000005722046,33.0,34.5290985107422 +InChI%3D1S%2FC17H25N3O2S%2Fc1-18-23%2821%2C22%2910-7-13-3-4-17-15%2811-13%2916%2812-19-17%2914-5-8-20%282%299-6-14%2Fh3-4%2C11-12%2C14%2C18-19H%2C5-10H2%2C1-2H3,47.0,7.0,7.0,-1.31040000915527,5.0,1.71714818477631,1.82099997997284,2.67000007629395,25.0,52.6473999023438 +InChI%3D1S%2FC17H15NO5%2Fc1-11%2819%2918-13-7-9-14%2810-8-13%2923-17%2821%2915-5-3-4-6-16%2815%2922-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C18%2C19%29,38.0,4.0,21.0,-0.244000002741814,6.0,0.0595359988510609,4.50699996948242,2.67000007629395,24.0,31.9085998535156 +InChI%3D1S%2FC15H21NO2%2Fc1-3-18-14%2817%2915%289-11-16%282%2912-10-15%2913-7-5-4-6-8-13%2Fh4-8H%2C3%2C9-12H2%2C1-2H3,39.0,5.0,6.0,0.541700005531311,4.0,0.293438881635666,3.83100008964539,2.77999997138977,19.0,45.8254013061523 +InChI%3D1S%2FC9H18N2O2%2Fc1-4-6%283%297%285-2%298%2812%2911-9%2810%2913%2Fh6-7H%2C4-5H2%2C1-3H3%2C%28H3%2C10%2C11%2C12%2C13%29,31.0,13.0,6.0,-0.775699973106384,5.0,0.601710498332977,2.5789999961853,2.00999999046326,12.0,46.5313987731934 +InChI%3D1S%2FC27H43NO9%2Fc1-11-4-5-14-24%283%2C34%2916-12%2810-28%2814%299-11%2913-8-25-21%2826%2813%2C35%2922%2833%2917%2816%2930%2919%2832%2918%2831%2920-23%2825%2C2%297-6-15%2829%2927%2820%2C36%2937-25%2Fh11-22%2C29-36H%2C4-10H2%2C1-3H3%2Ft11-%2C12-%2C13-%2C14-%2C15-%2C16%2B%2C17%2B%2C18-%2C19%2B%2C20-%2C21%2B%2C22-%2C23-%2C24%2B%2C25%2B%2C26%3F%2C27%2B%2Fm0%2Fs1,80.0,0.0,0.0,-5.81820011138916,0.0,33.8514518737793,-0.41499999165535,3.32999992370605,43.0,120.46549987793 +InChI%3D1S%2FC7H8N2O.ClH%2Fc1-9-5-3-2-4-7%289%296-8-10%3B%2Fh2-6H%2C1H3%3B1H,24.0,3.0,5.0,-1.2717000246048,1.0,1.61722087860107,1.62000000476837,1.78999996185303,10.0,33.9443016052246 +InChI%3D1S%2FC20H23N%2Fc1-21%282%2915-7-12-20-18-10-5-3-8-16%2818%2913-14-17-9-4-6-11-19%2817%2920%2Fh3-6%2C8-12H%2C7%2C13-15H2%2C1-2H3,44.0,6.0,14.0,0.33840000629425,3.0,0.11451455950737,8.27499961853027,3.54999995231628,23.0,40.744499206543 +InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,27.0,0.0,7.0,1.02419996261597,2.0,1.0489856004715,3.3840000629425,2.45000004768372,18.0,20.9613990783691 +InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3,37.0,7.0,7.0,0.85640001296997,6.0,0.733420968055725,2.95000004768372,2.55999994277954,19.0,39.119499206543 +InChI%3D1S%2FC20H24O2%2Fc1-12-10-14-15-4-5-18%2822%2920%2815%2C3%299-7-16%2814%2919%282%298-6-13%2821%2911-17%2812%2919%2Fh6%2C8%2C11%2C14-16H%2C1%2C4-5%2C7%2C9-10H2%2C2-3H3%2Ft14%3F%2C15-%2C16-%2C19%3F%2C20-%2Fm0%2Fs1,46.0,0.0,8.0,1.61020004749298,0.0,2.59274411201477,3.81900000572205,3.44000005722046,25.0,88.152603149414 +InChI%3D1S%2FC19H23NO5%2Fc1-23-17-7-11%288-18%2824-2%2919%2817%2925-3%296-14-13-10-16%2822%2915%2821%299-12%2813%294-5-20-14%2Fh7-10%2C14%2C20-22H%2C4-6H2%2C1-3H3%2Ft14-%2Fm0%2Fs1,48.0,2.0,9.0,-1.21720004081726,5.0,1.48157584667206,1.77699995040894,2.89000010490417,27.0,47.8039016723633 +InChI%3D1S%2FC21H27ClO3%2Fc1-12%2823%2921%2825%299-6-16-14-11-18%2822%2917-10-13%2824%294-7-19%2817%2C2%2915%2814%295-8-20%2816%2C21%293%2Fh10-11%2C14-16%2C25H%2C4-9H2%2C1-3H3%2Ft14%3F%2C15-%2C16-%2C19%2B%2C20-%2C21-%2Fm0%2Fs1,52.0,2.0,6.0,1.10699999332428,1.0,1.22544896602631,2.65000009536743,3.32999992370605,28.0,99.641502380371
\ No newline at end of file |